1-(2,3-dihydro-1H-indene-2-carbonyl)pyrrolidine-2-carbonitrile

C15H16N2O — CID 106892896

IUPAC1-(2,3-dihydro-1H-indene-2-carbonyl)pyrrolidine-2-carbonitrile
SMILESN#CC1CCCN1C(=O)C1Cc2ccccc2C1
InChIInChI=1S/C15H16N2O/c16-10-14-6-3-7-17(14)15(18)13-8-11-4-1-2-5-12(11)9-13/h1-2,4-5,13-14H,3,6-9H2
InChIKeyVOMPYTWOUCNNJH-UHFFFAOYSA-N
MW240.31 g/mol
LogP1.92
Rot. Bonds1

About 1-(2,3-dihydro-1H-indene-2-carbonyl)pyrrolidine-2-carbonitrile

1-(2,3-dihydro-1H-indene-2-carbonyl)pyrrolidine-2-carbonitrile (PubChem CID 106892896) has the molecular formula C15H16N2O and a molecular weight of 240.31 g/mol. Its IUPAC name is 1-(2,3-dihydro-1H-indene-2-carbonyl)pyrrolidine-2-carbonitrile.

Molecular Properties

Compound Name1-(2,3-dihydro-1H-indene-2-carbonyl)pyrrolidine-2-carbonitrile
PubChem CID106892896
Molecular FormulaC15H16N2O
Molecular Weight240.31 g/mol
Exact Mass240.13
IUPAC Name1-(2,3-dihydro-1H-indene-2-carbonyl)pyrrolidine-2-carbonitrile
SMILESN#CC1CCCN1C(=O)C1Cc2ccccc2C1
InChIInChI=1S/C15H16N2O/c16-10-14-6-3-7-17(14)15(18)13-8-11-4-1-2-5-12(11)9-13/h1-2,4-5,13-14H,3,6-9H2
InChIKeyVOMPYTWOUCNNJH-UHFFFAOYSA-N
XLogP1.92
TPSA44.10 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.31
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-(2,3-dihydro-1H-indene-2-carbonyl)pyrrolidine-2-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

(2S)-1-[(2R)-1-[2-(2,3-dihydro-1H-inden-2-yl)acetyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carbonitrile
CID 67757838
(2R)-1-(2,3-dihydro-1H-indene-2-carbonyl)pyrrolidine-2-carboxylic acid
CID 106892375
2,3-dihydro-1H-inden-2-yl-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 54377731
(2S)-1-[(2S)-1-[2-(pyrrolidine-1-carbonyl)benzoyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carbonitrile
CID 11406756
2,3-dihydro-1H-inden-2-yl-[2-(hydroxymethyl)azepan-1-yl]methanone
CID 106893221
2,3-dihydro-1H-inden-2-yl-[2-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 106893430
2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridin-1-yl(2,3-dihydro-1H-inden-2-yl)methanone
CID 106893464
(2S)-1-[(2S,4S,5S)-4-(1,3-dihydroisoindole-2-carbonyl)-5-methylpyrrolidine-2-carbonyl]pyrrolidine-2-carbonitrile
CID 11187292
2,3-dihydro-1H-inden-2-yl-(3-hydroxypiperidin-1-yl)methanone
CID 112530917
(2S)-1-[(3S)-7-hydroxy-1,2,3,4-tetrahydroisoquinoline-3-carbonyl]pyrrolidine-2-carbonitrile
CID 15483864
[2-(2-chloroethyl)piperidin-1-yl]-(2,3-dihydro-1H-inden-2-yl)methanone
CID 106894184
[2-(aminomethyl)-3-methylpiperidin-1-yl]-(2,3-dihydro-1H-inden-2-yl)methanone
CID 106893347

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1H-indene-2-carbonyl)pyrrolidine-2-carbonitrile?
The IUPAC name of 1-(2,3-dihydro-1H-indene-2-carbonyl)pyrrolidine-2-carbonitrile (CID 106892896) is 1-(2,3-dihydro-1H-indene-2-carbonyl)pyrrolidine-2-carbonitrile.
What is the SMILES notation for 1-(2,3-dihydro-1H-indene-2-carbonyl)pyrrolidine-2-carbonitrile?
The canonical SMILES for 1-(2,3-dihydro-1H-indene-2-carbonyl)pyrrolidine-2-carbonitrile is N#CC1CCCN1C(=O)C1Cc2ccccc2C1.
What is the InChIKey of 1-(2,3-dihydro-1H-indene-2-carbonyl)pyrrolidine-2-carbonitrile?
The InChIKey is VOMPYTWOUCNNJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O/c16-10-14-6-3-7-17(14)15(18)13-8-11-4-1-2-5-12(11)9-13/h1-2,4-5,13-14H,3,6-9H2.
What are the key properties of 1-(2,3-dihydro-1H-indene-2-carbonyl)pyrrolidine-2-carbonitrile?
1-(2,3-dihydro-1H-indene-2-carbonyl)pyrrolidine-2-carbonitrile has a molecular weight of 240.31 g/mol, XLogP of 1.92, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1H-indene-2-carbonyl)pyrrolidine-2-carbonitrile is sourced from PubChem (CID 106892896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).