3,3-dimethyl-2-oxo-1H-indole-5-carbonitrile

C11H10N2O — CID 82490767

IUPAC3,3-dimethyl-2-oxo-1H-indole-5-carbonitrile
SMILESCC1(C)C(=O)Nc2ccc(C#N)cc21
InChIInChI=1S/C11H10N2O/c1-11(2)8-5-7(6-12)3-4-9(8)13-10(11)14/h3-5H,1-2H3,(H,13,14)
InChIKeyAFRNAQZRMUBYRS-UHFFFAOYSA-N
MW186.21 g/mol
LogP1.79
Rot. Bonds

About 3,3-dimethyl-2-oxo-1H-indole-5-carbonitrile

3,3-dimethyl-2-oxo-1H-indole-5-carbonitrile (PubChem CID 82490767) has the molecular formula C11H10N2O and a molecular weight of 186.21 g/mol. Its IUPAC name is 3,3-dimethyl-2-oxo-1H-indole-5-carbonitrile.

Molecular Properties

Compound Name3,3-dimethyl-2-oxo-1H-indole-5-carbonitrile
PubChem CID82490767
Molecular FormulaC11H10N2O
Molecular Weight186.21 g/mol
Exact Mass186.08
IUPAC Name3,3-dimethyl-2-oxo-1H-indole-5-carbonitrile
SMILESCC1(C)C(=O)Nc2ccc(C#N)cc21
InChIInChI=1S/C11H10N2O/c1-11(2)8-5-7(6-12)3-4-9(8)13-10(11)14/h3-5H,1-2H3,(H,13,14)
InChIKeyAFRNAQZRMUBYRS-UHFFFAOYSA-N
XLogP1.79
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.21
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1,1,3,3-tetramethyl-2-oxoindene-5-carbonitrile
CID 71342098
3,3-dimethyl-5-nitro-1H-indol-2-one;ethane
CID 143412729
1-(4-cyanophenyl)-3-(3,3-dimethyl-2-oxo-1H-indol-6-yl)urea
CID 14476472
3,3-bis(5-cyano-1H-indol-3-yl)-2-oxo-1H-indole-5-carbonitrile
CID 102419327
5-(bromomethyl)-3,3-dimethyl-1H-indol-2-one
CID 80500983
3,3-dimethyl-5-phenyl-1H-indol-2-one
CID 79018952
5-(2-amino-1-hydroxypropyl)-3,3-dimethyl-1H-indol-2-one
CID 82496319
5-[(1R)-1-aminoethyl]-3,3-dimethyl-1H-indol-2-one
CID 82758114
3,3-dimethyl-1-(2-methylpropyl)-2,4-dioxo-5H-1,5-benzodiazepine-7-carbonitrile
CID 66961020
4,4-dimethyl-2,3-dihydro-1H-quinoline-6-carbonitrile;hydrochloride
CID 86767500
4-chloro-3-(5,5-dimethyl-2,4,6-trioxo-1,3-diazinan-1-yl)benzonitrile
CID 115948815
5-(2-bromoacetyl)-3,3-dimethyl-1H-indol-2-one
CID 10684264

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-2-oxo-1H-indole-5-carbonitrile?
The IUPAC name of 3,3-dimethyl-2-oxo-1H-indole-5-carbonitrile (CID 82490767) is 3,3-dimethyl-2-oxo-1H-indole-5-carbonitrile.
What is the SMILES notation for 3,3-dimethyl-2-oxo-1H-indole-5-carbonitrile?
The canonical SMILES for 3,3-dimethyl-2-oxo-1H-indole-5-carbonitrile is CC1(C)C(=O)Nc2ccc(C#N)cc21.
What is the InChIKey of 3,3-dimethyl-2-oxo-1H-indole-5-carbonitrile?
The InChIKey is AFRNAQZRMUBYRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O/c1-11(2)8-5-7(6-12)3-4-9(8)13-10(11)14/h3-5H,1-2H3,(H,13,14).
What are the key properties of 3,3-dimethyl-2-oxo-1H-indole-5-carbonitrile?
3,3-dimethyl-2-oxo-1H-indole-5-carbonitrile has a molecular weight of 186.21 g/mol, XLogP of 1.79, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-2-oxo-1H-indole-5-carbonitrile is sourced from PubChem (CID 82490767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).