General Information of the Compound
Compound ID
CP0730895
Compound Name
1-methyl-3-(2-oxopropylidene)indolin-2-one
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Synonyms
1,3-DIHYDRO-1-METHYL-3-(2-OXOPROPYLIDENE)-2H-INDOL-2-ONE
1-methyl-3-(2-oxopropylidene)indolin-2-one
70351-51-8
BDBM50203070
CHEMBL402589
GTPL6270
MFCD08530327
SCHEMBL1078803
Supercinnamaldehyde, &gt
ZINC29043655
super cinnamaldehyde
supercinnamaldehyde
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Structure
Formula
C12H11NO2
Molecular Weight
201.225
Canonical SMILES
CC(=O)/C=C1/C(=O)N(C)c2ccccc21
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InChI
InChI=1S/C12H11NO2/c1-8(14)7-10-9-5-3-4-6-11(9)13(2)12(10)15/h3-7H,1-2H3/b10-7+
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InChIKey
CZKBLHCEDVWPRN-JXMROGBWSA-N
Physicochemical Property
logP
1.6354
Rotatable Bonds
1
Heavy Atom Count
15
Polar Areas
37.38
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
2
Complexity
15

"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: 12480411
SID: 117641735
ChEMBL ID
CHEMBL402589
Clinical Information about the Compound
Drug 1 ( super cinnamaldehyde )
Drug Name super cinnamaldehyde
Target(s)
Transformation-sensitive protein p120 (TRPA1)
 Target Info 
Activator