1-(2-cyanophenyl)-5-oxo-N-(oxolan-2-ylmethyl)pyrrolidine-3-carboxamide

C17H19N3O3 — CID 113191716

IUPAC1-(2-cyanophenyl)-5-oxo-N-(oxolan-2-ylmethyl)pyrrolidine-3-carboxamide
SMILESN#Cc1ccccc1N1CC(C(=O)NCC2CCCO2)CC1=O
InChIInChI=1S/C17H19N3O3/c18-9-12-4-1-2-6-15(12)20-11-13(8-16(20)21)17(22)19-10-14-5-3-7-23-14/h1-2,4,6,13-14H,3,5,7-8,10-11H2,(H,19,22)
InChIKeyYMMHNTVJULRAJM-UHFFFAOYSA-N
MW313.36 g/mol
LogP1.21
Rot. Bonds4

About 1-(2-cyanophenyl)-5-oxo-N-(oxolan-2-ylmethyl)pyrrolidine-3-carboxamide

1-(2-cyanophenyl)-5-oxo-N-(oxolan-2-ylmethyl)pyrrolidine-3-carboxamide (PubChem CID 113191716) has the molecular formula C17H19N3O3 and a molecular weight of 313.36 g/mol. Its IUPAC name is 1-(2-cyanophenyl)-5-oxo-N-(oxolan-2-ylmethyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(2-cyanophenyl)-5-oxo-N-(oxolan-2-ylmethyl)pyrrolidine-3-carboxamide
PubChem CID113191716
Molecular FormulaC17H19N3O3
Molecular Weight313.36 g/mol
Exact Mass313.14
IUPAC Name1-(2-cyanophenyl)-5-oxo-N-(oxolan-2-ylmethyl)pyrrolidine-3-carboxamide
SMILESN#Cc1ccccc1N1CC(C(=O)NCC2CCCO2)CC1=O
InChIInChI=1S/C17H19N3O3/c18-9-12-4-1-2-6-15(12)20-11-13(8-16(20)21)17(22)19-10-14-5-3-7-23-14/h1-2,4,6,13-14H,3,5,7-8,10-11H2,(H,19,22)
InChIKeyYMMHNTVJULRAJM-UHFFFAOYSA-N
XLogP1.21
TPSA82.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.36
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-1-(2,3-dimethylphenyl)-5-oxo-N-[[(2S)-oxolan-2-yl]methyl]pyrrolidine-3-carboxamide
CID 34746625
1-(2,4-difluorophenyl)-5-oxo-N-(oxolan-2-ylmethyl)pyrrolidine-3-carboxamide
CID 113190639
(3S)-1-(4-fluorophenyl)-5-oxo-N-[[(2S)-oxolan-2-yl]methyl]pyrrolidine-3-carboxamide
CID 7369086
(3R)-1-(4-methylphenyl)-5-oxo-N-[[(2S)-oxolan-2-yl]methyl]pyrrolidine-3-carboxamide
CID 40502213
1-(2-cyanophenyl)-5-oxo-N-(2-phenylethyl)pyrrolidine-3-carboxamide
CID 113191742
1-(4-tert-butylphenyl)-5-oxo-N-(oxolan-2-ylmethyl)pyrrolidine-3-carboxamide
CID 113187210
1-[4-chloro-2-(trifluoromethyl)phenyl]-5-oxo-N-(oxolan-2-ylmethyl)pyrrolidine-3-carboxamide
CID 113190839
(3R)-1-(3-methylphenyl)-5-oxo-N-[[(2R)-oxolan-2-yl]methyl]pyrrolidine-3-carboxamide
CID 93017593
(3S)-1-(3-bromophenyl)-5-oxo-N-[[(2R)-oxolan-2-yl]methyl]pyrrolidine-3-carboxamide
CID 51935285
1-(3-methoxyphenyl)-5-oxo-N-(oxolan-2-ylmethyl)pyrrolidine-3-carboxamide
CID 84995148
(3S)-1-benzyl-5-oxo-N-[[(2R)-oxolan-2-yl]methyl]pyrrolidine-3-carboxamide
CID 34747212
(3S)-5-oxo-N-[[(2S)-oxolan-2-yl]methyl]-1-(2-phenylethyl)pyrrolidine-3-carboxamide
CID 40515531

Frequently Asked Questions

What is the IUPAC name of 1-(2-cyanophenyl)-5-oxo-N-(oxolan-2-ylmethyl)pyrrolidine-3-carboxamide?
The IUPAC name of 1-(2-cyanophenyl)-5-oxo-N-(oxolan-2-ylmethyl)pyrrolidine-3-carboxamide (CID 113191716) is 1-(2-cyanophenyl)-5-oxo-N-(oxolan-2-ylmethyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(2-cyanophenyl)-5-oxo-N-(oxolan-2-ylmethyl)pyrrolidine-3-carboxamide?
The canonical SMILES for 1-(2-cyanophenyl)-5-oxo-N-(oxolan-2-ylmethyl)pyrrolidine-3-carboxamide is N#Cc1ccccc1N1CC(C(=O)NCC2CCCO2)CC1=O.
What is the InChIKey of 1-(2-cyanophenyl)-5-oxo-N-(oxolan-2-ylmethyl)pyrrolidine-3-carboxamide?
The InChIKey is YMMHNTVJULRAJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O3/c18-9-12-4-1-2-6-15(12)20-11-13(8-16(20)21)17(22)19-10-14-5-3-7-23-14/h1-2,4,6,13-14H,3,5,7-8,10-11H2,(H,19,22).
What are the key properties of 1-(2-cyanophenyl)-5-oxo-N-(oxolan-2-ylmethyl)pyrrolidine-3-carboxamide?
1-(2-cyanophenyl)-5-oxo-N-(oxolan-2-ylmethyl)pyrrolidine-3-carboxamide has a molecular weight of 313.36 g/mol, XLogP of 1.21, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyanophenyl)-5-oxo-N-(oxolan-2-ylmethyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 113191716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).