4-(2,4-dimethylphenyl)imino-1-phenylpyrrolidin-2-one

C18H18N2O — CID 134715933

IUPAC4-(2,4-dimethylphenyl)imino-1-phenylpyrrolidin-2-one
SMILESCc1ccc(/N=C2\CC(=O)N(c3ccccc3)C2)c(C)c1
InChIInChI=1S/C18H18N2O/c1-13-8-9-17(14(2)10-13)19-15-11-18(21)20(12-15)16-6-4-3-5-7-16/h3-10H,11-12H2,1-2H3/b19-15+
InChIKeyWRXBHFNEHCRQMY-XDJHFCHBSA-N
MW278.36 g/mol
LogP3.81
Rot. Bonds2

About 4-(2,4-dimethylphenyl)imino-1-phenylpyrrolidin-2-one

4-(2,4-dimethylphenyl)imino-1-phenylpyrrolidin-2-one (PubChem CID 134715933) has the molecular formula C18H18N2O and a molecular weight of 278.36 g/mol. Its IUPAC name is 4-(2,4-dimethylphenyl)imino-1-phenylpyrrolidin-2-one.

Molecular Properties

Compound Name4-(2,4-dimethylphenyl)imino-1-phenylpyrrolidin-2-one
PubChem CID134715933
Molecular FormulaC18H18N2O
Molecular Weight278.36 g/mol
Exact Mass278.14
IUPAC Name4-(2,4-dimethylphenyl)imino-1-phenylpyrrolidin-2-one
SMILESCc1ccc(/N=C2\CC(=O)N(c3ccccc3)C2)c(C)c1
InChIInChI=1S/C18H18N2O/c1-13-8-9-17(14(2)10-13)19-15-11-18(21)20(12-15)16-6-4-3-5-7-16/h3-10H,11-12H2,1-2H3/b19-15+
InChIKeyWRXBHFNEHCRQMY-XDJHFCHBSA-N
XLogP3.81
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 53.81
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 4-(2,4-dimethylphenyl)imino-1-phenylpyrrolidin-2-one?
The IUPAC name of 4-(2,4-dimethylphenyl)imino-1-phenylpyrrolidin-2-one (CID 134715933) is 4-(2,4-dimethylphenyl)imino-1-phenylpyrrolidin-2-one.
What is the SMILES notation for 4-(2,4-dimethylphenyl)imino-1-phenylpyrrolidin-2-one?
The canonical SMILES for 4-(2,4-dimethylphenyl)imino-1-phenylpyrrolidin-2-one is Cc1ccc(/N=C2\CC(=O)N(c3ccccc3)C2)c(C)c1.
What is the InChIKey of 4-(2,4-dimethylphenyl)imino-1-phenylpyrrolidin-2-one?
The InChIKey is WRXBHFNEHCRQMY-XDJHFCHBSA-N. The full InChI is InChI=1S/C18H18N2O/c1-13-8-9-17(14(2)10-13)19-15-11-18(21)20(12-15)16-6-4-3-5-7-16/h3-10H,11-12H2,1-2H3/b19-15+.
What are the key properties of 4-(2,4-dimethylphenyl)imino-1-phenylpyrrolidin-2-one?
4-(2,4-dimethylphenyl)imino-1-phenylpyrrolidin-2-one has a molecular weight of 278.36 g/mol, XLogP of 3.81, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-dimethylphenyl)imino-1-phenylpyrrolidin-2-one is sourced from PubChem (CID 134715933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).