General Information of the Compound
Compound ID
CP0213935
Compound Name
3-Phenyl-pyrrolidine
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Synonyms
(+/-)-3-phenyl-pyrrolidine
(Pyrrolidin-3-yl)benzene
3-Phenyl-pyrrolidine
3-Phenylpyrrolidine
3-phenyl-pyrolidine
3-phenyl-pyrollidine
3-phenylpyrrolidine, AldrichCPR
3AAX-0-0
4-phenyl-pyrrolidine
936-44-7
AC1MK0OA
AC1Q1H4Y
AKOS000674061
AKOS016051772
ANW-54854
BAS 03334576
BBL008865
BDBM50144660
CHEMBL75207
CTK3I6515
DTXSID60389848
F2189-0088
HMS1704P05
KM3208
KS-00001OYR
MCULE-5600189216
MolPort-000-006-168
PRRFFTYUBPGHLE-UHFFFAOYSA-N
PubChem22374
Pyrrolidine, 3-phenyl-
SBB010168
SCHEMBL4122
STK006609
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Structure
Formula
C10H13N
Molecular Weight
147.221
Canonical SMILES
C1CC(CN1)c1ccccc1
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InChI
InChI=1S/C10H13N/c1-2-4-9(5-3-1)10-6-7-11-8-10/h1-5,10-11H,6-8H2
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InChIKey
PRRFFTYUBPGHLE-UHFFFAOYSA-N
CAS
936-44-7
Physicochemical Property
logP
1.7635
Rotatable Bonds
1
Heavy Atom Count
11
Polar Areas
12.03
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
1
Complexity
11

"RO5" indicates the cutoff set by lipinski's rule of five:

(1) Molecular weight less than 500 Dalton;

(2) xlogp less than 5;

(3) No more than 5 hbonddonor (Hydrogen Bond Donor Count);

(4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count);

(5) No more than 10 rotbonds (Rotatable Bond Count).

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PubChem ID
CID: 3146743
SID: 15711384
ChEMBL ID
CHEMBL75207
Map of Molecular Bioactivity Related to the Compound
Map of Molecular Bioactivity Related to the Compound

Compound
Cell Line
Protein

Bioactivity Value:

<= 0.1 μM
> 0.1 μM and <= 10 μM
> 10 μM
Imprecise Activity
Table of Molecular Bioactivities Related to the Compound
Protein ID: PT01448, 5-hydroxytryptamine receptor 1A
 Protein Info 
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000026 CHO-K1
 Cell Line Info 
Cricetulus griseus (Chinese hamster)  1
1
IC50 > 1000 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
Protein ID: PT00957, D(2) dopamine receptor
 Protein Info 
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000026 CHO-K1
 Cell Line Info 
Cricetulus griseus (Chinese hamster)  1
1
IC50 = 486 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
Protein ID: PT01366, D(3) dopamine receptor
 Protein Info 
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000026 CHO-K1
 Cell Line Info 
Cricetulus griseus (Chinese hamster)  1
1
IC50 > 2440 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( 3-Phenyl-pyrrolidine )
Drug Name 3-Phenyl-pyrrolidine
Target(s)
Dopamine D2 receptor (D2R)
 Target Info 
Inhibitor