(3S)-N-(1-cyanocyclopentyl)-1-(2,3-dihydro-1H-inden-5-yl)-5-oxopyrrolidine-3-carboxamide

C20H23N3O2 — CID 95576803

IUPAC(3S)-N-(1-cyanocyclopentyl)-1-(2,3-dihydro-1H-inden-5-yl)-5-oxopyrrolidine-3-carboxamide
SMILESN#CC1(NC(=O)[C@H]2CC(=O)N(c3ccc4c(c3)CCC4)C2)CCCC1
InChIInChI=1S/C20H23N3O2/c21-13-20(8-1-2-9-20)22-19(25)16-11-18(24)23(12-16)17-7-6-14-4-3-5-15(14)10-17/h6-7,10,16H,1-5,8-9,11-12H2,(H,22,25)/t16-/m0/s1
InChIKeyJOGANQQBAGODAS-INIZCTEOSA-N
MW337.42 g/mol
LogP2.48
Rot. Bonds3

About (3S)-N-(1-cyanocyclopentyl)-1-(2,3-dihydro-1H-inden-5-yl)-5-oxopyrrolidine-3-carboxamide

(3S)-N-(1-cyanocyclopentyl)-1-(2,3-dihydro-1H-inden-5-yl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 95576803) has the molecular formula C20H23N3O2 and a molecular weight of 337.42 g/mol. Its IUPAC name is (3S)-N-(1-cyanocyclopentyl)-1-(2,3-dihydro-1H-inden-5-yl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-(1-cyanocyclopentyl)-1-(2,3-dihydro-1H-inden-5-yl)-5-oxopyrrolidine-3-carboxamide
PubChem CID95576803
Molecular FormulaC20H23N3O2
Molecular Weight337.42 g/mol
Exact Mass337.18
IUPAC Name(3S)-N-(1-cyanocyclopentyl)-1-(2,3-dihydro-1H-inden-5-yl)-5-oxopyrrolidine-3-carboxamide
SMILESN#CC1(NC(=O)[C@H]2CC(=O)N(c3ccc4c(c3)CCC4)C2)CCCC1
InChIInChI=1S/C20H23N3O2/c21-13-20(8-1-2-9-20)22-19(25)16-11-18(24)23(12-16)17-7-6-14-4-3-5-15(14)10-17/h6-7,10,16H,1-5,8-9,11-12H2,(H,22,25)/t16-/m0/s1
InChIKeyJOGANQQBAGODAS-INIZCTEOSA-N
XLogP2.48
TPSA73.20 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-N-(1-cyanocyclopentyl)-1-(2,3-dihydro-1H-inden-5-yl)-5-oxopyrrolidine-3-carboxamide
CID 95576802
N-(1-cyanocyclopentyl)-1-(2,3-dihydro-1H-inden-5-yl)-5-oxopyrrolidine-3-carboxamide
CID 56797035
(3R)-1-(2,3-dihydro-1H-inden-5-yl)-N-(1-methylcyclopentyl)-5-oxopyrrolidine-3-carboxamide
CID 52529769
1-(1,3-benzodioxol-5-yl)-N-(1-cyanocyclopentyl)-5-oxopyrrolidine-3-carboxamide
CID 154774723
(3R)-N-(1-cyanocyclohexyl)-5-oxo-1-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
CID 97011463
(3R)-N'-(cyclopropanecarbonyl)-1-(2,3-dihydro-1H-inden-5-yl)-5-oxopyrrolidine-3-carbohydrazide
CID 51983166
1-(2,3-dihydro-1H-inden-5-yl)-N-methylsulfonyl-5-oxopyrrolidine-3-carboxamide
CID 146154255
(3S)-1-(2,3-dihydro-1H-inden-5-yl)-N-ethyl-5-oxopyrrolidine-3-carboxamide
CID 30838721
(3R)-1-(2,3-dihydro-1H-inden-5-yl)-N-(1-methylpiperidin-4-yl)-5-oxopyrrolidine-3-carboxamide
CID 94149551
1-(2,3-dihydro-1H-inden-5-yl)-N-(2,6-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 46586076
(3S)-N-(4-cyanooxan-4-yl)-1-(3,5-difluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 124563530
(3S)-1-(2,3-dihydro-1H-inden-5-yl)-5-oxo-N'-[(2S)-oxolane-2-carbonyl]pyrrolidine-3-carbohydrazide
CID 39481151

Frequently Asked Questions

What is the IUPAC name of (3S)-N-(1-cyanocyclopentyl)-1-(2,3-dihydro-1H-inden-5-yl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of (3S)-N-(1-cyanocyclopentyl)-1-(2,3-dihydro-1H-inden-5-yl)-5-oxopyrrolidine-3-carboxamide (CID 95576803) is (3S)-N-(1-cyanocyclopentyl)-1-(2,3-dihydro-1H-inden-5-yl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for (3S)-N-(1-cyanocyclopentyl)-1-(2,3-dihydro-1H-inden-5-yl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for (3S)-N-(1-cyanocyclopentyl)-1-(2,3-dihydro-1H-inden-5-yl)-5-oxopyrrolidine-3-carboxamide is N#CC1(NC(=O)[C@H]2CC(=O)N(c3ccc4c(c3)CCC4)C2)CCCC1.
What is the InChIKey of (3S)-N-(1-cyanocyclopentyl)-1-(2,3-dihydro-1H-inden-5-yl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is JOGANQQBAGODAS-INIZCTEOSA-N. The full InChI is InChI=1S/C20H23N3O2/c21-13-20(8-1-2-9-20)22-19(25)16-11-18(24)23(12-16)17-7-6-14-4-3-5-15(14)10-17/h6-7,10,16H,1-5,8-9,11-12H2,(H,22,25)/t16-/m0/s1.
What are the key properties of (3S)-N-(1-cyanocyclopentyl)-1-(2,3-dihydro-1H-inden-5-yl)-5-oxopyrrolidine-3-carboxamide?
(3S)-N-(1-cyanocyclopentyl)-1-(2,3-dihydro-1H-inden-5-yl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 337.42 g/mol, XLogP of 2.48, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-(1-cyanocyclopentyl)-1-(2,3-dihydro-1H-inden-5-yl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 95576803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).