1-(2-ethylphenyl)-3-(propylamino)pyrrolidin-2-one

C15H22N2O — CID 54973363

IUPAC1-(2-ethylphenyl)-3-(propylamino)pyrrolidin-2-one
SMILESCCCNC1CCN(c2ccccc2CC)C1=O
InChIInChI=1S/C15H22N2O/c1-3-10-16-13-9-11-17(15(13)18)14-8-6-5-7-12(14)4-2/h5-8,13,16H,3-4,9-11H2,1-2H3
InChIKeyBECKOOXJKMFYCF-UHFFFAOYSA-N
MW246.35 g/mol
LogP2.35
Rot. Bonds5

About 1-(2-ethylphenyl)-3-(propylamino)pyrrolidin-2-one

1-(2-ethylphenyl)-3-(propylamino)pyrrolidin-2-one (PubChem CID 54973363) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is 1-(2-ethylphenyl)-3-(propylamino)pyrrolidin-2-one.

Molecular Properties

Compound Name1-(2-ethylphenyl)-3-(propylamino)pyrrolidin-2-one
PubChem CID54973363
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC Name1-(2-ethylphenyl)-3-(propylamino)pyrrolidin-2-one
SMILESCCCNC1CCN(c2ccccc2CC)C1=O
InChIInChI=1S/C15H22N2O/c1-3-10-16-13-9-11-17(15(13)18)14-8-6-5-7-12(14)4-2/h5-8,13,16H,3-4,9-11H2,1-2H3
InChIKeyBECKOOXJKMFYCF-UHFFFAOYSA-N
XLogP2.35
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-chloro-2-methylphenyl)-3-(propylamino)pyrrolidin-2-one
CID 54973419
3-(ethylamino)-1-[2-(2-methoxyethyl)phenyl]pyrrolidin-2-one
CID 102906315
1-(2-chloro-5-methylphenyl)-3-(propylamino)pyrrolidin-2-one
CID 107636295
1-(4-bromo-2-chlorophenyl)-3-(propylamino)pyrrolidin-2-one
CID 54973373
1-(4-fluoro-3-methylphenyl)-3-(propylamino)pyrrolidin-2-one
CID 62812484
1-(2-bromo-4-methyl-5-nitrophenyl)-3-(propylamino)pyrrolidin-2-one
CID 104815564
N-[(3R)-1-(2-chlorophenyl)-2-oxopyrrolidin-3-yl]pentanamide
CID 95322197
1-(2-ethylphenyl)-2,3-dimethyl-N-propylpiperidin-4-amine
CID 79397422
1-[3-(dimethylamino)propyl]-N-propyl-3,4-dihydro-2H-quinolin-4-amine
CID 114524576
(3S)-1-(2-ethylphenyl)-3-propanoylpiperidin-2-one
CID 125450755
3-(ethylamino)-1-(2,3,4-trifluorophenyl)pyrrolidin-2-one
CID 54972958
2-ethyl-N-(2-oxo-1-phenylpyrrolidin-3-yl)benzenesulfonamide
CID 71838669

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethylphenyl)-3-(propylamino)pyrrolidin-2-one?
The IUPAC name of 1-(2-ethylphenyl)-3-(propylamino)pyrrolidin-2-one (CID 54973363) is 1-(2-ethylphenyl)-3-(propylamino)pyrrolidin-2-one.
What is the SMILES notation for 1-(2-ethylphenyl)-3-(propylamino)pyrrolidin-2-one?
The canonical SMILES for 1-(2-ethylphenyl)-3-(propylamino)pyrrolidin-2-one is CCCNC1CCN(c2ccccc2CC)C1=O.
What is the InChIKey of 1-(2-ethylphenyl)-3-(propylamino)pyrrolidin-2-one?
The InChIKey is BECKOOXJKMFYCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O/c1-3-10-16-13-9-11-17(15(13)18)14-8-6-5-7-12(14)4-2/h5-8,13,16H,3-4,9-11H2,1-2H3.
What are the key properties of 1-(2-ethylphenyl)-3-(propylamino)pyrrolidin-2-one?
1-(2-ethylphenyl)-3-(propylamino)pyrrolidin-2-one has a molecular weight of 246.35 g/mol, XLogP of 2.35, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethylphenyl)-3-(propylamino)pyrrolidin-2-one is sourced from PubChem (CID 54973363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).