2-[2-[(2S)-1-(2-cyclopentylacetyl)pyrrolidin-2-yl]ethyl]-1-ethylindole-6-carbonitrile

C24H31N3O — CID 20640434

IUPAC2-[2-[(2S)-1-(2-cyclopentylacetyl)pyrrolidin-2-yl]ethyl]-1-ethylindole-6-carbonitrile
SMILESCCn1c(CC[C@@H]2CCCN2C(=O)CC2CCCC2)cc2ccc(C#N)cc21
InChIInChI=1S/C24H31N3O/c1-2-26-22(16-20-10-9-19(17-25)14-23(20)26)12-11-21-8-5-13-27(21)24(28)15-18-6-3-4-7-18/h9-10,14,16,18,21H,2-8,11-13,15H2,1H3/t21-/m0/s1
InChIKeyWCUVGUFELWYZNW-NRFANRHFSA-N
MW377.53 g/mol
LogP5.04
Rot. Bonds6

About 2-[2-[(2S)-1-(2-cyclopentylacetyl)pyrrolidin-2-yl]ethyl]-1-ethylindole-6-carbonitrile

2-[2-[(2S)-1-(2-cyclopentylacetyl)pyrrolidin-2-yl]ethyl]-1-ethylindole-6-carbonitrile (PubChem CID 20640434) has the molecular formula C24H31N3O and a molecular weight of 377.53 g/mol. Its IUPAC name is 2-[2-[(2S)-1-(2-cyclopentylacetyl)pyrrolidin-2-yl]ethyl]-1-ethylindole-6-carbonitrile.

Molecular Properties

Compound Name2-[2-[(2S)-1-(2-cyclopentylacetyl)pyrrolidin-2-yl]ethyl]-1-ethylindole-6-carbonitrile
PubChem CID20640434
Molecular FormulaC24H31N3O
Molecular Weight377.53 g/mol
Exact Mass377.25
IUPAC Name2-[2-[(2S)-1-(2-cyclopentylacetyl)pyrrolidin-2-yl]ethyl]-1-ethylindole-6-carbonitrile
SMILESCCn1c(CC[C@@H]2CCCN2C(=O)CC2CCCC2)cc2ccc(C#N)cc21
InChIInChI=1S/C24H31N3O/c1-2-26-22(16-20-10-9-19(17-25)14-23(20)26)12-11-21-8-5-13-27(21)24(28)15-18-6-3-4-7-18/h9-10,14,16,18,21H,2-8,11-13,15H2,1H3/t21-/m0/s1
InChIKeyWCUVGUFELWYZNW-NRFANRHFSA-N
XLogP5.04
TPSA49.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.53
LogP ≤ 55.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-[(2S)-1-[2-[(3S)-3-amino-2-oxoazepan-1-yl]acetyl]pyrrolidin-2-yl]ethyl]-1-ethylindole-6-carbonitrile
CID 11281981
butyl (2S)-2-[2-(6-cyano-1-ethylindol-2-yl)ethyl]pyrrolidine-1-carboxylate
CID 142674548
2-[2-[1-(2-cyclopentyl-2-phenylacetyl)pyrrolidin-2-yl]ethyl]-1-ethylindole-6-carbonitrile
CID 70108714
ethyl 2-[2-[(2S)-2-[2-(6-cyano-1-ethylindol-2-yl)ethyl]piperidine-1-carbonyl]piperidin-1-yl]acetate
CID 70110063
ethyl 2-[(2R,4R)-1-[(2S)-2-[2-(6-cyano-1-ethylindol-2-yl)ethyl]piperidine-1-carbonyl]-4-methoxypyrrolidin-2-yl]acetate
CID 70106527
1-ethyl-2-[2-[(2S)-1-[2-[(3S)-3-[ethyl(prop-2-enyl)amino]-2-oxopiperidin-1-yl]acetyl]pyrrolidin-2-yl]ethyl]indole-6-carbonitrile
CID 142642479
tert-butyl N-[2-[(2R)-2-[(2S)-2-[2-(6-cyano-1-ethylindol-2-yl)ethyl]pyrrolidine-1-carbonyl]pyrrolidin-1-yl]-2-oxoethyl]-N-methylcarbamate
CID 20640468
ethyl 2-[(2R)-2-[(2S)-2-[2-(6-cyano-1-ethylindol-2-yl)ethyl]pyrrolidine-1-carbonyl]pyrrolidin-1-yl]hexanoate
CID 70108452
2-[1-[2-[2-(6-cyano-1-ethylindol-2-yl)ethyl]pyrrolidine-1-carbonyl]-4-methoxypyrrolidin-2-yl]butanoic acid
CID 70109387
tert-butyl 3-[(2R)-2-[(2S)-2-[2-(6-cyano-1-ethylindol-2-yl)ethyl]pyrrolidine-1-carbonyl]pyrrolidine-1-carbonyl]piperidine-1-carboxylate
CID 70107256
2-[2-(6-cyano-1-ethylindol-2-yl)ethyl]-4-methylpyrrolidine-1-carboxylic acid
CID 21251413
2-[2-[1-(4-methoxybenzoyl)pyrrolidin-2-yl]ethyl]-1-methylindole-6-carbonitrile
CID 21251599

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(2S)-1-(2-cyclopentylacetyl)pyrrolidin-2-yl]ethyl]-1-ethylindole-6-carbonitrile?
The IUPAC name of 2-[2-[(2S)-1-(2-cyclopentylacetyl)pyrrolidin-2-yl]ethyl]-1-ethylindole-6-carbonitrile (CID 20640434) is 2-[2-[(2S)-1-(2-cyclopentylacetyl)pyrrolidin-2-yl]ethyl]-1-ethylindole-6-carbonitrile.
What is the SMILES notation for 2-[2-[(2S)-1-(2-cyclopentylacetyl)pyrrolidin-2-yl]ethyl]-1-ethylindole-6-carbonitrile?
The canonical SMILES for 2-[2-[(2S)-1-(2-cyclopentylacetyl)pyrrolidin-2-yl]ethyl]-1-ethylindole-6-carbonitrile is CCn1c(CC[C@@H]2CCCN2C(=O)CC2CCCC2)cc2ccc(C#N)cc21.
What is the InChIKey of 2-[2-[(2S)-1-(2-cyclopentylacetyl)pyrrolidin-2-yl]ethyl]-1-ethylindole-6-carbonitrile?
The InChIKey is WCUVGUFELWYZNW-NRFANRHFSA-N. The full InChI is InChI=1S/C24H31N3O/c1-2-26-22(16-20-10-9-19(17-25)14-23(20)26)12-11-21-8-5-13-27(21)24(28)15-18-6-3-4-7-18/h9-10,14,16,18,21H,2-8,11-13,15H2,1H3/t21-/m0/s1.
What are the key properties of 2-[2-[(2S)-1-(2-cyclopentylacetyl)pyrrolidin-2-yl]ethyl]-1-ethylindole-6-carbonitrile?
2-[2-[(2S)-1-(2-cyclopentylacetyl)pyrrolidin-2-yl]ethyl]-1-ethylindole-6-carbonitrile has a molecular weight of 377.53 g/mol, XLogP of 5.04, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(2S)-1-(2-cyclopentylacetyl)pyrrolidin-2-yl]ethyl]-1-ethylindole-6-carbonitrile is sourced from PubChem (CID 20640434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).