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3-methyleneoxindole - Substance Summary (SID 5746)


Drug and Chemical Information: (Total:1)         

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Data Source:   
Depositor: KEGG
External ID: C02796

Depositor-Supplied Synonyms: (Total: 2)
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3-Methyleneoxindole
C02796


Properties Computed from Structure:
Molecular Weight145.15798 [g/mol]
Molecular FormulaC9H7NO
XLogP3-AA1.4
H-Bond Donor1
H-Bond Acceptor1
Rotatable Bond Count0
Tautomer Count2
Exact Mass145.052764
MonoIsotopic Mass145.052764
Topological Polar Surface Area29.1
Heavy Atom Count11
Formal Charge0
Complexity210
Isotope Atom Count0
Defined Atom StereoCenter Count0
Undefined Atom StereoCenter Count0
Defined Bond StereoCenter Count0
Undefined Bond StereoCenter Count0
Covalently-Bonded Unit Count1


Descriptors Computed from Structure:
IUPAC Name: 3-methylidene-1H-indol-2-one
Canonical SMILES: C=C1C2=CC=CC=C2NC1=O
InChI: InChI=1S/C9H7NO/c1-6-7-4-2-3-5-8(7)10-9(6)11/h2-5H,1H2,(H,10,11)
InChIKey: IGXUUWYVUGBMFT-UHFFFAOYSA-N


Substance Information:
SID 5746   
Deposit Date: 2005-06-24
Modify Date: 2008-09-10

CID 150946   
Create Date: 2004-09-16

Related Substances:
Same: 12 Links

Similar Substances: 1047 Links


Depositor-Supplied Comments:
ChEBI: 17920
Is a reactant or product of enzyme EC 1.3.1.17
     
Compound Displayed

2D

3D
Compound ID150946
Molecular Weight145.15798 [g/mol]
Molecular FormulaC9H7NO
XLogP3-AA1.4
H-Bond Donor1
H-Bond Acceptor1


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