(2E)-2-(3-oxo-1H-indol-2-ylidene)-2-phenylacetonitrile

C16H10N2O — CID 6210968

IUPAC(2E)-2-(3-oxo-1H-indol-2-ylidene)-2-phenylacetonitrile
SMILESN#C/C(=C1/Nc2ccccc2C1=O)c1ccccc1
InChIInChI=1S/C16H10N2O/c17-10-13(11-6-2-1-3-7-11)15-16(19)12-8-4-5-9-14(12)18-15/h1-9,18H/b15-13-
InChIKeyKMXPWAQWOVKAIV-SQFISAMPSA-N
MW246.27 g/mol
LogP3.23
Rot. Bonds1

About (2E)-2-(3-oxo-1H-indol-2-ylidene)-2-phenylacetonitrile

(2E)-2-(3-oxo-1H-indol-2-ylidene)-2-phenylacetonitrile (PubChem CID 6210968) has the molecular formula C16H10N2O and a molecular weight of 246.27 g/mol. Its IUPAC name is (2E)-2-(3-oxo-1H-indol-2-ylidene)-2-phenylacetonitrile.

Molecular Properties

Compound Name(2E)-2-(3-oxo-1H-indol-2-ylidene)-2-phenylacetonitrile
PubChem CID6210968
Molecular FormulaC16H10N2O
Molecular Weight246.27 g/mol
Exact Mass246.08
IUPAC Name(2E)-2-(3-oxo-1H-indol-2-ylidene)-2-phenylacetonitrile
SMILESN#C/C(=C1/Nc2ccccc2C1=O)c1ccccc1
InChIInChI=1S/C16H10N2O/c17-10-13(11-6-2-1-3-7-11)15-16(19)12-8-4-5-9-14(12)18-15/h1-9,18H/b15-13-
InChIKeyKMXPWAQWOVKAIV-SQFISAMPSA-N
XLogP3.23
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.27
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'conjugated_nitrile_group', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

2-(1H-indol-3-yl)-2-(3-oxo-1H-indol-2-ylidene)acetonitrile
CID 85433682
2-[nitro(phenyl)methylidene]-1H-indol-3-one
CID 4558826
(2Z)-3-oxo-2-(2-oxo-1H-indol-3-ylidene)-3-phenylpropanenitrile
CID 6069069
(2E)-2-(3-hydroxy-4-oxonaphthalen-1-ylidene)-2-phenylacetonitrile
CID 46944529
1H-quinoline-2,3,4-trione;hydrate
CID 91665944
2-phenacylidene-1H-indol-3-one
CID 73190948
(2E)-2-phenacylidene-1H-indol-3-one
CID 82254422
copper;1H-indole-2,3-dione
CID 70626411
1,4-diphenylbenzene;1H-indole-2,3-dione
CID 175350104
(2E)-2-(3-naphthalen-1-ylimino-1H-benzo[g]indol-2-ylidene)-2-phenylacetonitrile
CID 135507494
2-(3-phenylimino-1H-indol-2-ylidene)propanedinitrile
CID 136797981
(3Z)-3-(1-phenylethylidene)-1H-indol-2-one
CID 12761441

Frequently Asked Questions

What is the IUPAC name of (2E)-2-(3-oxo-1H-indol-2-ylidene)-2-phenylacetonitrile?
The IUPAC name of (2E)-2-(3-oxo-1H-indol-2-ylidene)-2-phenylacetonitrile (CID 6210968) is (2E)-2-(3-oxo-1H-indol-2-ylidene)-2-phenylacetonitrile.
What is the SMILES notation for (2E)-2-(3-oxo-1H-indol-2-ylidene)-2-phenylacetonitrile?
The canonical SMILES for (2E)-2-(3-oxo-1H-indol-2-ylidene)-2-phenylacetonitrile is N#C/C(=C1/Nc2ccccc2C1=O)c1ccccc1.
What is the InChIKey of (2E)-2-(3-oxo-1H-indol-2-ylidene)-2-phenylacetonitrile?
The InChIKey is KMXPWAQWOVKAIV-SQFISAMPSA-N. The full InChI is InChI=1S/C16H10N2O/c17-10-13(11-6-2-1-3-7-11)15-16(19)12-8-4-5-9-14(12)18-15/h1-9,18H/b15-13-.
What are the key properties of (2E)-2-(3-oxo-1H-indol-2-ylidene)-2-phenylacetonitrile?
(2E)-2-(3-oxo-1H-indol-2-ylidene)-2-phenylacetonitrile has a molecular weight of 246.27 g/mol, XLogP of 3.23, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-(3-oxo-1H-indol-2-ylidene)-2-phenylacetonitrile is sourced from PubChem (CID 6210968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).