1-[2-cyclopropyl-2-(propylamino)ethyl]-4-methylpyrrolidin-2-one

C13H24N2O — CID 63913764

IUPAC1-[2-cyclopropyl-2-(propylamino)ethyl]-4-methylpyrrolidin-2-one
SMILESCCCNC(CN1CC(C)CC1=O)C1CC1
InChIInChI=1S/C13H24N2O/c1-3-6-14-12(11-4-5-11)9-15-8-10(2)7-13(15)16/h10-12,14H,3-9H2,1-2H3
InChIKeyMCUUIXJBIXTVDO-UHFFFAOYSA-N
MW224.35 g/mol
LogP1.63
Rot. Bonds6

About 1-[2-cyclopropyl-2-(propylamino)ethyl]-4-methylpyrrolidin-2-one

1-[2-cyclopropyl-2-(propylamino)ethyl]-4-methylpyrrolidin-2-one (PubChem CID 63913764) has the molecular formula C13H24N2O and a molecular weight of 224.35 g/mol. Its IUPAC name is 1-[2-cyclopropyl-2-(propylamino)ethyl]-4-methylpyrrolidin-2-one.

Molecular Properties

Compound Name1-[2-cyclopropyl-2-(propylamino)ethyl]-4-methylpyrrolidin-2-one
PubChem CID63913764
Molecular FormulaC13H24N2O
Molecular Weight224.35 g/mol
Exact Mass224.19
IUPAC Name1-[2-cyclopropyl-2-(propylamino)ethyl]-4-methylpyrrolidin-2-one
SMILESCCCNC(CN1CC(C)CC1=O)C1CC1
InChIInChI=1S/C13H24N2O/c1-3-6-14-12(11-4-5-11)9-15-8-10(2)7-13(15)16/h10-12,14H,3-9H2,1-2H3
InChIKeyMCUUIXJBIXTVDO-UHFFFAOYSA-N
XLogP1.63
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.35
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-(ethylamino)-2-(oxolan-3-yl)ethyl]-4-methylpyrrolidin-2-one
CID 113448456
4-methyl-1-[2-(methylamino)pentyl]pyrrolidin-2-one
CID 63104073
1-[2-cyclopropyl-2-(propylamino)ethyl]pyridin-4-one
CID 63914624
1-(2-hydroxybutyl)-4-methylpyrrolidin-2-one
CID 63100793
1-[2-cyclopentyl-2-(propylamino)ethyl]azepane-2,7-dione
CID 104747332
N-[1-cyclopropyl-2-(3-methylpiperidin-1-yl)ethyl]propan-1-amine
CID 63915143
1-[2-cyclohexyl-2-(propylamino)ethyl]pyrrolidine-2,5-dione
CID 104747098
1-(4-methylcyclohexyl)-N-propylpentan-1-amine
CID 63415743
4-methyl-1-[2-(propylamino)pentyl]piperidine-2,6-dione
CID 79506645
N-[2-cyclopropyl-1-(4-methylcyclohexyl)ethyl]propan-1-amine
CID 64907023
1-[2-(3,4-dimethylphenyl)-2-(ethylamino)ethyl]-4-methylpyrrolidin-2-one
CID 63104056
1-(3-bromo-2-methylpropyl)-4-methylpyrrolidin-2-one
CID 64995682

Frequently Asked Questions

What is the IUPAC name of 1-[2-cyclopropyl-2-(propylamino)ethyl]-4-methylpyrrolidin-2-one?
The IUPAC name of 1-[2-cyclopropyl-2-(propylamino)ethyl]-4-methylpyrrolidin-2-one (CID 63913764) is 1-[2-cyclopropyl-2-(propylamino)ethyl]-4-methylpyrrolidin-2-one.
What is the SMILES notation for 1-[2-cyclopropyl-2-(propylamino)ethyl]-4-methylpyrrolidin-2-one?
The canonical SMILES for 1-[2-cyclopropyl-2-(propylamino)ethyl]-4-methylpyrrolidin-2-one is CCCNC(CN1CC(C)CC1=O)C1CC1.
What is the InChIKey of 1-[2-cyclopropyl-2-(propylamino)ethyl]-4-methylpyrrolidin-2-one?
The InChIKey is MCUUIXJBIXTVDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O/c1-3-6-14-12(11-4-5-11)9-15-8-10(2)7-13(15)16/h10-12,14H,3-9H2,1-2H3.
What are the key properties of 1-[2-cyclopropyl-2-(propylamino)ethyl]-4-methylpyrrolidin-2-one?
1-[2-cyclopropyl-2-(propylamino)ethyl]-4-methylpyrrolidin-2-one has a molecular weight of 224.35 g/mol, XLogP of 1.63, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-cyclopropyl-2-(propylamino)ethyl]-4-methylpyrrolidin-2-one is sourced from PubChem (CID 63913764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).