1-(2-methyl-2,3-dihydroindole-1-carbonyl)cyclopentane-1-carbonitrile

C16H18N2O — CID 60677912

IUPAC1-(2-methyl-2,3-dihydroindole-1-carbonyl)cyclopentane-1-carbonitrile
SMILESCC1Cc2ccccc2N1C(=O)C1(C#N)CCCC1
InChIInChI=1S/C16H18N2O/c1-12-10-13-6-2-3-7-14(13)18(12)15(19)16(11-17)8-4-5-9-16/h2-3,6-7,12H,4-5,8-10H2,1H3
InChIKeyTYBKTIRGWPMKLX-UHFFFAOYSA-N
MW254.33 g/mol
LogP3.05
Rot. Bonds1

About 1-(2-methyl-2,3-dihydroindole-1-carbonyl)cyclopentane-1-carbonitrile

1-(2-methyl-2,3-dihydroindole-1-carbonyl)cyclopentane-1-carbonitrile (PubChem CID 60677912) has the molecular formula C16H18N2O and a molecular weight of 254.33 g/mol. Its IUPAC name is 1-(2-methyl-2,3-dihydroindole-1-carbonyl)cyclopentane-1-carbonitrile.

Molecular Properties

Compound Name1-(2-methyl-2,3-dihydroindole-1-carbonyl)cyclopentane-1-carbonitrile
PubChem CID60677912
Molecular FormulaC16H18N2O
Molecular Weight254.33 g/mol
Exact Mass254.14
IUPAC Name1-(2-methyl-2,3-dihydroindole-1-carbonyl)cyclopentane-1-carbonitrile
SMILESCC1Cc2ccccc2N1C(=O)C1(C#N)CCCC1
InChIInChI=1S/C16H18N2O/c1-12-10-13-6-2-3-7-14(13)18(12)15(19)16(11-17)8-4-5-9-16/h2-3,6-7,12H,4-5,8-10H2,1H3
InChIKeyTYBKTIRGWPMKLX-UHFFFAOYSA-N
XLogP3.05
TPSA44.10 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-(2-methyl-2,3-dihydroindole-1-carbonyl)cyclopentane-1-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(3-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)cyclopentane-1-carbonitrile
CID 63378040
(2-methyl-2,3-dihydroindol-1-yl)-(3-methylpiperidin-3-yl)methanone
CID 63132696
1-(2-methyl-2,3-dihydroindole-1-carbonyl)cyclopropane-1-carboxylic acid
CID 55034928
1-cyano-N-[2-(2-methyl-2,3-dihydroindol-1-yl)ethyl]cyclopentane-1-carboxamide
CID 60599448
[1-(2-methyl-2,3-dihydroindole-1-carbonyl)cyclopropyl]-pyrrolidin-1-ylmethanone
CID 108971730
(4-aminooxan-4-yl)-(2-methyl-2,3-dihydroindol-1-yl)methanone
CID 115293542
(1-amino-3-methylcyclohexyl)-(2-methyl-2,3-dihydroindol-1-yl)methanone
CID 64549601
(2-ethylpyrrolidin-2-yl)-(2-methyl-2,3-dihydroindol-1-yl)methanone
CID 83080337
1-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]cyclopentane-1-carboxylic acid
CID 43437065
3,4-dihydro-2H-quinolin-1-yl-[1-(2-methyl-2,3-dihydroindole-1-carbonyl)cyclopropyl]methanone
CID 108981201
[(1R,2R)-2-[(2S)-2-methyl-2,3-dihydroindole-1-carbonyl]-3-methylidenecyclopropyl]-[(2S)-2-methyl-2,3-dihydroindol-1-yl]methanone
CID 25358035
2-(methylamino)-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone;hydrochloride
CID 119669437

Frequently Asked Questions

What is the IUPAC name of 1-(2-methyl-2,3-dihydroindole-1-carbonyl)cyclopentane-1-carbonitrile?
The IUPAC name of 1-(2-methyl-2,3-dihydroindole-1-carbonyl)cyclopentane-1-carbonitrile (CID 60677912) is 1-(2-methyl-2,3-dihydroindole-1-carbonyl)cyclopentane-1-carbonitrile.
What is the SMILES notation for 1-(2-methyl-2,3-dihydroindole-1-carbonyl)cyclopentane-1-carbonitrile?
The canonical SMILES for 1-(2-methyl-2,3-dihydroindole-1-carbonyl)cyclopentane-1-carbonitrile is CC1Cc2ccccc2N1C(=O)C1(C#N)CCCC1.
What is the InChIKey of 1-(2-methyl-2,3-dihydroindole-1-carbonyl)cyclopentane-1-carbonitrile?
The InChIKey is TYBKTIRGWPMKLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O/c1-12-10-13-6-2-3-7-14(13)18(12)15(19)16(11-17)8-4-5-9-16/h2-3,6-7,12H,4-5,8-10H2,1H3.
What are the key properties of 1-(2-methyl-2,3-dihydroindole-1-carbonyl)cyclopentane-1-carbonitrile?
1-(2-methyl-2,3-dihydroindole-1-carbonyl)cyclopentane-1-carbonitrile has a molecular weight of 254.33 g/mol, XLogP of 3.05, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methyl-2,3-dihydroindole-1-carbonyl)cyclopentane-1-carbonitrile is sourced from PubChem (CID 60677912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).