1-[1-methylimino-1-(4-methylphenyl)butan-2-yl]pyrrolidin-2-one

C16H22N2O — CID 143257436

IUPAC1-[1-methylimino-1-(4-methylphenyl)butan-2-yl]pyrrolidin-2-one
SMILESCCC(/C(=N/C)c1ccc(C)cc1)N1CCCC1=O
InChIInChI=1S/C16H22N2O/c1-4-14(18-11-5-6-15(18)19)16(17-3)13-9-7-12(2)8-10-13/h7-10,14H,4-6,11H2,1-3H3/b17-16+
InChIKeyCGJBDAVYOGCIND-WUKNDPDISA-N
MW258.37 g/mol
LogP2.81
Rot. Bonds4

About 1-[1-methylimino-1-(4-methylphenyl)butan-2-yl]pyrrolidin-2-one

1-[1-methylimino-1-(4-methylphenyl)butan-2-yl]pyrrolidin-2-one (PubChem CID 143257436) has the molecular formula C16H22N2O and a molecular weight of 258.37 g/mol. Its IUPAC name is 1-[1-methylimino-1-(4-methylphenyl)butan-2-yl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[1-methylimino-1-(4-methylphenyl)butan-2-yl]pyrrolidin-2-one
PubChem CID143257436
Molecular FormulaC16H22N2O
Molecular Weight258.37 g/mol
Exact Mass258.17
IUPAC Name1-[1-methylimino-1-(4-methylphenyl)butan-2-yl]pyrrolidin-2-one
SMILESCCC(/C(=N/C)c1ccc(C)cc1)N1CCCC1=O
InChIInChI=1S/C16H22N2O/c1-4-14(18-11-5-6-15(18)19)16(17-3)13-9-7-12(2)8-10-13/h7-10,14H,4-6,11H2,1-3H3/b17-16+
InChIKeyCGJBDAVYOGCIND-WUKNDPDISA-N
XLogP2.81
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.37
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[1-methylimino-1-(4-methylphenyl)butan-2-yl]pyrrolidin-2-one?
The IUPAC name of 1-[1-methylimino-1-(4-methylphenyl)butan-2-yl]pyrrolidin-2-one (CID 143257436) is 1-[1-methylimino-1-(4-methylphenyl)butan-2-yl]pyrrolidin-2-one.
What is the SMILES notation for 1-[1-methylimino-1-(4-methylphenyl)butan-2-yl]pyrrolidin-2-one?
The canonical SMILES for 1-[1-methylimino-1-(4-methylphenyl)butan-2-yl]pyrrolidin-2-one is CCC(/C(=N/C)c1ccc(C)cc1)N1CCCC1=O.
What is the InChIKey of 1-[1-methylimino-1-(4-methylphenyl)butan-2-yl]pyrrolidin-2-one?
The InChIKey is CGJBDAVYOGCIND-WUKNDPDISA-N. The full InChI is InChI=1S/C16H22N2O/c1-4-14(18-11-5-6-15(18)19)16(17-3)13-9-7-12(2)8-10-13/h7-10,14H,4-6,11H2,1-3H3/b17-16+.
What are the key properties of 1-[1-methylimino-1-(4-methylphenyl)butan-2-yl]pyrrolidin-2-one?
1-[1-methylimino-1-(4-methylphenyl)butan-2-yl]pyrrolidin-2-one has a molecular weight of 258.37 g/mol, XLogP of 2.81, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-methylimino-1-(4-methylphenyl)butan-2-yl]pyrrolidin-2-one is sourced from PubChem (CID 143257436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).