(2S)-2-(4-cyclopropyl-2,3-dihydroindole-1-carbonyl)pyrrolidine-1-carbonitrile

C17H19N3O — CID 140885139

IUPAC(2S)-2-(4-cyclopropyl-2,3-dihydroindole-1-carbonyl)pyrrolidine-1-carbonitrile
SMILESN#CN1CCC[C@H]1C(=O)N1CCc2c(C3CC3)cccc21
InChIInChI=1S/C17H19N3O/c18-11-19-9-2-5-16(19)17(21)20-10-8-14-13(12-6-7-12)3-1-4-15(14)20/h1,3-4,12,16H,2,5-10H2/t16-/m0/s1
InChIKeyAHXHFWKYIYXQMV-INIZCTEOSA-N
MW281.36 g/mol
LogP2.40
Rot. Bonds2

About (2S)-2-(4-cyclopropyl-2,3-dihydroindole-1-carbonyl)pyrrolidine-1-carbonitrile

(2S)-2-(4-cyclopropyl-2,3-dihydroindole-1-carbonyl)pyrrolidine-1-carbonitrile (PubChem CID 140885139) has the molecular formula C17H19N3O and a molecular weight of 281.36 g/mol. Its IUPAC name is (2S)-2-(4-cyclopropyl-2,3-dihydroindole-1-carbonyl)pyrrolidine-1-carbonitrile.

Molecular Properties

Compound Name(2S)-2-(4-cyclopropyl-2,3-dihydroindole-1-carbonyl)pyrrolidine-1-carbonitrile
PubChem CID140885139
Molecular FormulaC17H19N3O
Molecular Weight281.36 g/mol
Exact Mass281.15
IUPAC Name(2S)-2-(4-cyclopropyl-2,3-dihydroindole-1-carbonyl)pyrrolidine-1-carbonitrile
SMILESN#CN1CCC[C@H]1C(=O)N1CCc2c(C3CC3)cccc21
InChIInChI=1S/C17H19N3O/c18-11-19-9-2-5-16(19)17(21)20-10-8-14-13(12-6-7-12)3-1-4-15(14)20/h1,3-4,12,16H,2,5-10H2/t16-/m0/s1
InChIKeyAHXHFWKYIYXQMV-INIZCTEOSA-N
XLogP2.40
TPSA47.34 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}

Analyze (2S)-2-(4-cyclopropyl-2,3-dihydroindole-1-carbonyl)pyrrolidine-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

2-[4-(2-aminopyrimidin-4-yl)-2,3-dihydroindole-1-carbonyl]pyrrolidine-1-carbonitrile
CID 175219682
[(2S)-2-(4-chloro-2,3-dihydroindole-1-carbonyl)pyrrolidin-1-yl]-cyclopropylmethanone
CID 97079067
(4-bromo-2,3-dihydroindol-1-yl)-[(2S)-1-(2-methylpropyl)pyrrolidin-2-yl]methanone
CID 174895884
2-[4-(5-cyano-1H-pyrazol-4-yl)-2,3-dihydroindole-1-carbonyl]pyrrolidine-1-carboxylic acid
CID 135205672
(2S)-2-(4-pyridin-2-yl-1,3-dihydroisoindole-2-carbonyl)pyrrolidine-1-carbonitrile
CID 164607830
(4-chloro-2,3-dihydroindol-1-yl)-[1-(4-nitrophenyl)sulfonylpiperidin-3-yl]methanone
CID 166216907
tert-butyl (2S)-2-(4-phenyl-2,3-dihydroindole-1-carbonyl)pyrrolidine-1-carboxylate
CID 140885141
(3-aminocyclohexyl)-(4-chloro-2,3-dihydroindol-1-yl)methanone
CID 119788766
1-acetyl-2,3-dihydroindole-4-carbonitrile
CID 82655574
1-[(2R)-2-(2,3-dihydropyrrolo[3,2-c]pyridine-1-carbonyl)pyrrolidin-1-yl]-2-methylpropan-1-one
CID 99615668
1-(cyclopropanecarbonyl)-N-cyclopropyl-2,3-dihydroindole-4-carboxamide
CID 53014581
1-(2-methyl-6-oxopiperidine-4-carbonyl)-2,3-dihydroindole-4-carbonitrile
CID 167761414

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(4-cyclopropyl-2,3-dihydroindole-1-carbonyl)pyrrolidine-1-carbonitrile?
The IUPAC name of (2S)-2-(4-cyclopropyl-2,3-dihydroindole-1-carbonyl)pyrrolidine-1-carbonitrile (CID 140885139) is (2S)-2-(4-cyclopropyl-2,3-dihydroindole-1-carbonyl)pyrrolidine-1-carbonitrile.
What is the SMILES notation for (2S)-2-(4-cyclopropyl-2,3-dihydroindole-1-carbonyl)pyrrolidine-1-carbonitrile?
The canonical SMILES for (2S)-2-(4-cyclopropyl-2,3-dihydroindole-1-carbonyl)pyrrolidine-1-carbonitrile is N#CN1CCC[C@H]1C(=O)N1CCc2c(C3CC3)cccc21.
What is the InChIKey of (2S)-2-(4-cyclopropyl-2,3-dihydroindole-1-carbonyl)pyrrolidine-1-carbonitrile?
The InChIKey is AHXHFWKYIYXQMV-INIZCTEOSA-N. The full InChI is InChI=1S/C17H19N3O/c18-11-19-9-2-5-16(19)17(21)20-10-8-14-13(12-6-7-12)3-1-4-15(14)20/h1,3-4,12,16H,2,5-10H2/t16-/m0/s1.
What are the key properties of (2S)-2-(4-cyclopropyl-2,3-dihydroindole-1-carbonyl)pyrrolidine-1-carbonitrile?
(2S)-2-(4-cyclopropyl-2,3-dihydroindole-1-carbonyl)pyrrolidine-1-carbonitrile has a molecular weight of 281.36 g/mol, XLogP of 2.40, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(4-cyclopropyl-2,3-dihydroindole-1-carbonyl)pyrrolidine-1-carbonitrile is sourced from PubChem (CID 140885139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).