2-oxo-3-(4-propan-2-ylanilino)-1H-indole-3-carbonitrile

C18H17N3O — CID 3153366

IUPAC2-oxo-3-(4-propan-2-ylanilino)-1H-indole-3-carbonitrile
SMILESCC(C)c1ccc(NC2(C#N)C(=O)Nc3ccccc32)cc1
InChIInChI=1S/C18H17N3O/c1-12(2)13-7-9-14(10-8-13)21-18(11-19)15-5-3-4-6-16(15)20-17(18)22/h3-10,12,21H,1-2H3,(H,20,22)
InChIKeyCDTSNXYJIPLUPC-UHFFFAOYSA-N
MW291.35 g/mol
LogP3.59
Rot. Bonds3

About 2-oxo-3-(4-propan-2-ylanilino)-1H-indole-3-carbonitrile

2-oxo-3-(4-propan-2-ylanilino)-1H-indole-3-carbonitrile (PubChem CID 3153366) has the molecular formula C18H17N3O and a molecular weight of 291.35 g/mol. Its IUPAC name is 2-oxo-3-(4-propan-2-ylanilino)-1H-indole-3-carbonitrile.

Molecular Properties

Compound Name2-oxo-3-(4-propan-2-ylanilino)-1H-indole-3-carbonitrile
PubChem CID3153366
Molecular FormulaC18H17N3O
Molecular Weight291.35 g/mol
Exact Mass291.14
IUPAC Name2-oxo-3-(4-propan-2-ylanilino)-1H-indole-3-carbonitrile
SMILESCC(C)c1ccc(NC2(C#N)C(=O)Nc3ccccc32)cc1
InChIInChI=1S/C18H17N3O/c1-12(2)13-7-9-14(10-8-13)21-18(11-19)15-5-3-4-6-16(15)20-17(18)22/h3-10,12,21H,1-2H3,(H,20,22)
InChIKeyCDTSNXYJIPLUPC-UHFFFAOYSA-N
XLogP3.59
TPSA64.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3Z)-3-[[4-(dimethylamino)phenyl]methylidene]-1H-indol-2-one
CID 6450842
3-Methyloxindole
CID 150923
3-Benzyl-1,3-dihydroindol-2-one
CID 347328
1H-Indole-3-acetonitrile, 2,3-dihydro-2-oxo-
CID 98365
3-Phenyl-oxindole
CID 317527
(3E)-3-{[4-(dimethylamino)phenyl]methylidene}-2,3-dihydro-1H-indol-2-one
CID 5353593
3-(3,3-Dimethyl-2-oxoindolin-5-yl)benzonitrile
CID 9903358
3-(3,4-dimethylanilino)-2-oxo-1H-indole-3-carbonitrile
CID 3153364
(3Z)-5-methyl-3-(2-methylbenzylidene)-1,3-dihydro-2H-indol-2-one
CID 5876476
3,3-bis(4-aminophenyl)-1H-indol-2-one
CID 2894099
3-(4-Dimethylaminobenzylidenyl)-2-indolinone
CID 3135
N-(1-Benzyl-2-oxo-2,3-dihydro-1H-indol-3-yl)acetamide
CID 562745

Frequently Asked Questions

What is the IUPAC name of 2-oxo-3-(4-propan-2-ylanilino)-1H-indole-3-carbonitrile?
The IUPAC name of 2-oxo-3-(4-propan-2-ylanilino)-1H-indole-3-carbonitrile (CID 3153366) is 2-oxo-3-(4-propan-2-ylanilino)-1H-indole-3-carbonitrile.
What is the SMILES notation for 2-oxo-3-(4-propan-2-ylanilino)-1H-indole-3-carbonitrile?
The canonical SMILES for 2-oxo-3-(4-propan-2-ylanilino)-1H-indole-3-carbonitrile is CC(C)c1ccc(NC2(C#N)C(=O)Nc3ccccc32)cc1.
What is the InChIKey of 2-oxo-3-(4-propan-2-ylanilino)-1H-indole-3-carbonitrile?
The InChIKey is CDTSNXYJIPLUPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O/c1-12(2)13-7-9-14(10-8-13)21-18(11-19)15-5-3-4-6-16(15)20-17(18)22/h3-10,12,21H,1-2H3,(H,20,22).
What are the key properties of 2-oxo-3-(4-propan-2-ylanilino)-1H-indole-3-carbonitrile?
2-oxo-3-(4-propan-2-ylanilino)-1H-indole-3-carbonitrile has a molecular weight of 291.35 g/mol, XLogP of 3.59, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-3-(4-propan-2-ylanilino)-1H-indole-3-carbonitrile is sourced from PubChem (CID 3153366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).