1-methyl-3-[1-(4-methylphenyl)propylamino]pyrrolidin-2-one

C15H22N2O — CID 103902441

IUPAC1-methyl-3-[1-(4-methylphenyl)propylamino]pyrrolidin-2-one
SMILESCCC(NC1CCN(C)C1=O)c1ccc(C)cc1
InChIInChI=1S/C15H22N2O/c1-4-13(12-7-5-11(2)6-8-12)16-14-9-10-17(3)15(14)18/h5-8,13-14,16H,4,9-10H2,1-3H3
InChIKeyWLKVVDMZWLHUJS-UHFFFAOYSA-N
MW246.35 g/mol
LogP2.27
Rot. Bonds4

About 1-methyl-3-[1-(4-methylphenyl)propylamino]pyrrolidin-2-one

1-methyl-3-[1-(4-methylphenyl)propylamino]pyrrolidin-2-one (PubChem CID 103902441) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is 1-methyl-3-[1-(4-methylphenyl)propylamino]pyrrolidin-2-one.

Molecular Properties

Compound Name1-methyl-3-[1-(4-methylphenyl)propylamino]pyrrolidin-2-one
PubChem CID103902441
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC Name1-methyl-3-[1-(4-methylphenyl)propylamino]pyrrolidin-2-one
SMILESCCC(NC1CCN(C)C1=O)c1ccc(C)cc1
InChIInChI=1S/C15H22N2O/c1-4-13(12-7-5-11(2)6-8-12)16-14-9-10-17(3)15(14)18/h5-8,13-14,16H,4,9-10H2,1-3H3
InChIKeyWLKVVDMZWLHUJS-UHFFFAOYSA-N
XLogP2.27
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[1-(3,4-dimethoxyphenyl)propylamino]-1-methylpyrrolidin-2-one
CID 103902437
3-[1-(4-fluorophenyl)pentylamino]-1-methylpyrrolidin-2-one
CID 106252639
(3R)-3-[[(R)-(4-methoxyphenyl)-(4-methylphenyl)methyl]amino]-1-methylpyrrolidin-2-one
CID 96567992
(3S)-1-cyclopropyl-3-[[(1R)-1-(4-methoxyphenyl)propyl]amino]pyrrolidin-2-one
CID 97333444
3-[1-(4-hydroxyphenyl)ethylamino]-1-methylpyrrolidin-2-one
CID 106253017
N-[1-(4-methylphenyl)propyl]-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine
CID 43752400
2-methyl-N-[1-(4-methylphenyl)propyl]cyclopropan-1-amine
CID 62397495
2-methyl-N-[1-(4-methylphenyl)propyl]cyclohexan-1-amine
CID 43079704
1-acetyl-N-[1-(4-methylphenyl)propyl]piperidine-4-carboxamide
CID 6469814
N-[1-(4-methylphenyl)propyl]-1,1-dioxothiolan-3-amine
CID 43177616
1-N-[1-(4-methylphenyl)propyl]cyclobutane-1,3-diamine
CID 80559783
3-[1-(1-ethylpiperidin-4-yl)ethylamino]-1-methylpyrrolidin-2-one
CID 106252496

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-[1-(4-methylphenyl)propylamino]pyrrolidin-2-one?
The IUPAC name of 1-methyl-3-[1-(4-methylphenyl)propylamino]pyrrolidin-2-one (CID 103902441) is 1-methyl-3-[1-(4-methylphenyl)propylamino]pyrrolidin-2-one.
What is the SMILES notation for 1-methyl-3-[1-(4-methylphenyl)propylamino]pyrrolidin-2-one?
The canonical SMILES for 1-methyl-3-[1-(4-methylphenyl)propylamino]pyrrolidin-2-one is CCC(NC1CCN(C)C1=O)c1ccc(C)cc1.
What is the InChIKey of 1-methyl-3-[1-(4-methylphenyl)propylamino]pyrrolidin-2-one?
The InChIKey is WLKVVDMZWLHUJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O/c1-4-13(12-7-5-11(2)6-8-12)16-14-9-10-17(3)15(14)18/h5-8,13-14,16H,4,9-10H2,1-3H3.
What are the key properties of 1-methyl-3-[1-(4-methylphenyl)propylamino]pyrrolidin-2-one?
1-methyl-3-[1-(4-methylphenyl)propylamino]pyrrolidin-2-one has a molecular weight of 246.35 g/mol, XLogP of 2.27, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[1-(4-methylphenyl)propylamino]pyrrolidin-2-one is sourced from PubChem (CID 103902441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).