3-[[3-(3-chlorophenyl)cyclobutyl]amino]-1-methylpyrrolidin-2-one

C15H19ClN2O — CID 103711168

IUPAC3-[[3-(3-chlorophenyl)cyclobutyl]amino]-1-methylpyrrolidin-2-one
SMILESCN1CCC(NC2CC(c3cccc(Cl)c3)C2)C1=O
InChIInChI=1S/C15H19ClN2O/c1-18-6-5-14(15(18)19)17-13-8-11(9-13)10-3-2-4-12(16)7-10/h2-4,7,11,13-14,17H,5-6,8-9H2,1H3
InChIKeyXCKWDHNMWXDQSV-UHFFFAOYSA-N
MW278.78 g/mol
LogP2.41
Rot. Bonds3

About 3-[[3-(3-chlorophenyl)cyclobutyl]amino]-1-methylpyrrolidin-2-one

3-[[3-(3-chlorophenyl)cyclobutyl]amino]-1-methylpyrrolidin-2-one (PubChem CID 103711168) has the molecular formula C15H19ClN2O and a molecular weight of 278.78 g/mol. Its IUPAC name is 3-[[3-(3-chlorophenyl)cyclobutyl]amino]-1-methylpyrrolidin-2-one.

Molecular Properties

Compound Name3-[[3-(3-chlorophenyl)cyclobutyl]amino]-1-methylpyrrolidin-2-one
PubChem CID103711168
Molecular FormulaC15H19ClN2O
Molecular Weight278.78 g/mol
Exact Mass278.12
IUPAC Name3-[[3-(3-chlorophenyl)cyclobutyl]amino]-1-methylpyrrolidin-2-one
SMILESCN1CCC(NC2CC(c3cccc(Cl)c3)C2)C1=O
InChIInChI=1S/C15H19ClN2O/c1-18-6-5-14(15(18)19)17-13-8-11(9-13)10-3-2-4-12(16)7-10/h2-4,7,11,13-14,17H,5-6,8-9H2,1H3
InChIKeyXCKWDHNMWXDQSV-UHFFFAOYSA-N
XLogP2.41
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.78
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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3-[(3-ethoxycyclobutyl)amino]-1-methylpyrrolidin-2-one
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4-[[3-(3-chlorophenyl)cyclobutyl]amino]benzoic acid
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3-(3-chlorophenyl)-N-[(4-methylmorpholin-2-yl)methyl]cyclobutan-1-amine
CID 79083029
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2,6-dibromo-N-[3-(3-chlorophenyl)cyclobutyl]aniline
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Frequently Asked Questions

What is the IUPAC name of 3-[[3-(3-chlorophenyl)cyclobutyl]amino]-1-methylpyrrolidin-2-one?
The IUPAC name of 3-[[3-(3-chlorophenyl)cyclobutyl]amino]-1-methylpyrrolidin-2-one (CID 103711168) is 3-[[3-(3-chlorophenyl)cyclobutyl]amino]-1-methylpyrrolidin-2-one.
What is the SMILES notation for 3-[[3-(3-chlorophenyl)cyclobutyl]amino]-1-methylpyrrolidin-2-one?
The canonical SMILES for 3-[[3-(3-chlorophenyl)cyclobutyl]amino]-1-methylpyrrolidin-2-one is CN1CCC(NC2CC(c3cccc(Cl)c3)C2)C1=O.
What is the InChIKey of 3-[[3-(3-chlorophenyl)cyclobutyl]amino]-1-methylpyrrolidin-2-one?
The InChIKey is XCKWDHNMWXDQSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN2O/c1-18-6-5-14(15(18)19)17-13-8-11(9-13)10-3-2-4-12(16)7-10/h2-4,7,11,13-14,17H,5-6,8-9H2,1H3.
What are the key properties of 3-[[3-(3-chlorophenyl)cyclobutyl]amino]-1-methylpyrrolidin-2-one?
3-[[3-(3-chlorophenyl)cyclobutyl]amino]-1-methylpyrrolidin-2-one has a molecular weight of 278.78 g/mol, XLogP of 2.41, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-(3-chlorophenyl)cyclobutyl]amino]-1-methylpyrrolidin-2-one is sourced from PubChem (CID 103711168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).