1-benzyl-3-methoxyimino-5,5-dimethylpyrrolidin-2-one

C14H18N2O2 — CID 173032997

IUPAC1-benzyl-3-methoxyimino-5,5-dimethylpyrrolidin-2-one
SMILESCON=C1CC(C)(C)N(Cc2ccccc2)C1=O
InChIInChI=1S/C14H18N2O2/c1-14(2)9-12(15-18-3)13(17)16(14)10-11-7-5-4-6-8-11/h4-8H,9-10H2,1-3H3
InChIKeyRWSRYRYDVZMZMF-UHFFFAOYSA-N
MW246.31 g/mol
LogP2.20
Rot. Bonds3

About 1-benzyl-3-methoxyimino-5,5-dimethylpyrrolidin-2-one

1-benzyl-3-methoxyimino-5,5-dimethylpyrrolidin-2-one (PubChem CID 173032997) has the molecular formula C14H18N2O2 and a molecular weight of 246.31 g/mol. Its IUPAC name is 1-benzyl-3-methoxyimino-5,5-dimethylpyrrolidin-2-one.

Molecular Properties

Compound Name1-benzyl-3-methoxyimino-5,5-dimethylpyrrolidin-2-one
PubChem CID173032997
Molecular FormulaC14H18N2O2
Molecular Weight246.31 g/mol
Exact Mass246.14
IUPAC Name1-benzyl-3-methoxyimino-5,5-dimethylpyrrolidin-2-one
SMILESCON=C1CC(C)(C)N(Cc2ccccc2)C1=O
InChIInChI=1S/C14H18N2O2/c1-14(2)9-12(15-18-3)13(17)16(14)10-11-7-5-4-6-8-11/h4-8H,9-10H2,1-3H3
InChIKeyRWSRYRYDVZMZMF-UHFFFAOYSA-N
XLogP2.20
TPSA41.90 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-benzyl-3-methoxyimino-5,5-dimethylpyrrolidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-methoxyimino-5,5-dimethylpyrrolidin-2-one?
The IUPAC name of 1-benzyl-3-methoxyimino-5,5-dimethylpyrrolidin-2-one (CID 173032997) is 1-benzyl-3-methoxyimino-5,5-dimethylpyrrolidin-2-one.
What is the SMILES notation for 1-benzyl-3-methoxyimino-5,5-dimethylpyrrolidin-2-one?
The canonical SMILES for 1-benzyl-3-methoxyimino-5,5-dimethylpyrrolidin-2-one is CON=C1CC(C)(C)N(Cc2ccccc2)C1=O.
What is the InChIKey of 1-benzyl-3-methoxyimino-5,5-dimethylpyrrolidin-2-one?
The InChIKey is RWSRYRYDVZMZMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2/c1-14(2)9-12(15-18-3)13(17)16(14)10-11-7-5-4-6-8-11/h4-8H,9-10H2,1-3H3.
What are the key properties of 1-benzyl-3-methoxyimino-5,5-dimethylpyrrolidin-2-one?
1-benzyl-3-methoxyimino-5,5-dimethylpyrrolidin-2-one has a molecular weight of 246.31 g/mol, XLogP of 2.20, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-methoxyimino-5,5-dimethylpyrrolidin-2-one is sourced from PubChem (CID 173032997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).