1-[4-(2-ethylpyrrolidine-1-carbonyl)phenyl]pyrrolidin-2-one

C17H22N2O2 — CID 110619098

IUPAC1-[4-(2-ethylpyrrolidine-1-carbonyl)phenyl]pyrrolidin-2-one
SMILESCCC1CCCN1C(=O)c1ccc(N2CCCC2=O)cc1
InChIInChI=1S/C17H22N2O2/c1-2-14-5-3-12-19(14)17(21)13-7-9-15(10-8-13)18-11-4-6-16(18)20/h7-10,14H,2-6,11-12H2,1H3
InChIKeyNQPHNRSTNHTNRH-UHFFFAOYSA-N
MW286.37 g/mol
LogP2.83
Rot. Bonds3

About 1-[4-(2-ethylpyrrolidine-1-carbonyl)phenyl]pyrrolidin-2-one

1-[4-(2-ethylpyrrolidine-1-carbonyl)phenyl]pyrrolidin-2-one (PubChem CID 110619098) has the molecular formula C17H22N2O2 and a molecular weight of 286.37 g/mol. Its IUPAC name is 1-[4-(2-ethylpyrrolidine-1-carbonyl)phenyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[4-(2-ethylpyrrolidine-1-carbonyl)phenyl]pyrrolidin-2-one
PubChem CID110619098
Molecular FormulaC17H22N2O2
Molecular Weight286.37 g/mol
Exact Mass286.17
IUPAC Name1-[4-(2-ethylpyrrolidine-1-carbonyl)phenyl]pyrrolidin-2-one
SMILESCCC1CCCN1C(=O)c1ccc(N2CCCC2=O)cc1
InChIInChI=1S/C17H22N2O2/c1-2-14-5-3-12-19(14)17(21)13-7-9-15(10-8-13)18-11-4-6-16(18)20/h7-10,14H,2-6,11-12H2,1H3
InChIKeyNQPHNRSTNHTNRH-UHFFFAOYSA-N
XLogP2.83
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.37
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-[2-(methylaminomethyl)pyrrolidine-1-carbonyl]phenyl]pyrrolidin-2-one
CID 119649565
(2-ethylpyrrolidin-1-yl)-(4-pyrrolidin-1-ylphenyl)methanone
CID 110619094
[4-[(2S)-2-ethylpiperidine-1-carbonyl]phenyl]-[(2R)-2-ethylpiperidin-1-yl]methanone
CID 1087323
(2-ethylpyrrolidin-1-yl)-phenylmethanone
CID 20577009
(2-ethylpyrrolidin-1-yl)-pyridin-4-ylmethanone
CID 84514744
1-[4-[[1-(2-ethylpiperidin-1-yl)-1-oxopropan-2-yl]amino]phenyl]pyrrolidin-2-one
CID 78788446
[4-(aminomethyl)phenyl]-(2-ethylpyrrolidin-1-yl)methanone
CID 55029111
1-[4-[2-(4-fluorophenyl)pyrrolidine-1-carbonyl]phenyl]pyrrolidin-2-one
CID 51338954
(2-ethylpiperidin-1-yl)-[4-(4-hydroxypiperidin-1-yl)phenyl]methanone
CID 111331478
1-[4-(2-ethylmorpholine-4-carbonyl)phenyl]pyrrolidin-2-one
CID 42943561
4-(2-ethylpyrrolidine-1-carbonyl)-N'-hydroxybenzenecarboximidamide
CID 54885605
(2-ethylazepan-1-yl)-[4-(4-hydroxypiperidin-1-yl)phenyl]methanone
CID 71984061

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-ethylpyrrolidine-1-carbonyl)phenyl]pyrrolidin-2-one?
The IUPAC name of 1-[4-(2-ethylpyrrolidine-1-carbonyl)phenyl]pyrrolidin-2-one (CID 110619098) is 1-[4-(2-ethylpyrrolidine-1-carbonyl)phenyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[4-(2-ethylpyrrolidine-1-carbonyl)phenyl]pyrrolidin-2-one?
The canonical SMILES for 1-[4-(2-ethylpyrrolidine-1-carbonyl)phenyl]pyrrolidin-2-one is CCC1CCCN1C(=O)c1ccc(N2CCCC2=O)cc1.
What is the InChIKey of 1-[4-(2-ethylpyrrolidine-1-carbonyl)phenyl]pyrrolidin-2-one?
The InChIKey is NQPHNRSTNHTNRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O2/c1-2-14-5-3-12-19(14)17(21)13-7-9-15(10-8-13)18-11-4-6-16(18)20/h7-10,14H,2-6,11-12H2,1H3.
What are the key properties of 1-[4-(2-ethylpyrrolidine-1-carbonyl)phenyl]pyrrolidin-2-one?
1-[4-(2-ethylpyrrolidine-1-carbonyl)phenyl]pyrrolidin-2-one has a molecular weight of 286.37 g/mol, XLogP of 2.83, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-ethylpyrrolidine-1-carbonyl)phenyl]pyrrolidin-2-one is sourced from PubChem (CID 110619098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).