1,5-dimethyl-4-methylidenepyrrolidin-2-one

C7H11NO — CID 59872944

IUPAC1,5-dimethyl-4-methylidenepyrrolidin-2-one
SMILESC=C1CC(=O)N(C)C1C
InChIInChI=1S/C7H11NO/c1-5-4-7(9)8(3)6(5)2/h6H,1,4H2,2-3H3
InChIKeyLLUFSYZJFHVLMM-UHFFFAOYSA-N
MW125.17 g/mol
LogP0.79
Rot. Bonds

About 1,5-dimethyl-4-methylidenepyrrolidin-2-one

1,5-dimethyl-4-methylidenepyrrolidin-2-one (PubChem CID 59872944) has the molecular formula C7H11NO and a molecular weight of 125.17 g/mol. Its IUPAC name is 1,5-dimethyl-4-methylidenepyrrolidin-2-one.

Molecular Properties

Compound Name1,5-dimethyl-4-methylidenepyrrolidin-2-one
PubChem CID59872944
Molecular FormulaC7H11NO
Molecular Weight125.17 g/mol
Exact Mass125.08
IUPAC Name1,5-dimethyl-4-methylidenepyrrolidin-2-one
SMILESC=C1CC(=O)N(C)C1C
InChIInChI=1S/C7H11NO/c1-5-4-7(9)8(3)6(5)2/h6H,1,4H2,2-3H3
InChIKeyLLUFSYZJFHVLMM-UHFFFAOYSA-N
XLogP0.79
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.17
LogP ≤ 50.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1,5-dimethyl-4-methylidenepyrrolidin-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 1,5-dimethyl-4-methylidenepyrrolidin-2-one?
The IUPAC name of 1,5-dimethyl-4-methylidenepyrrolidin-2-one (CID 59872944) is 1,5-dimethyl-4-methylidenepyrrolidin-2-one.
What is the SMILES notation for 1,5-dimethyl-4-methylidenepyrrolidin-2-one?
The canonical SMILES for 1,5-dimethyl-4-methylidenepyrrolidin-2-one is C=C1CC(=O)N(C)C1C.
What is the InChIKey of 1,5-dimethyl-4-methylidenepyrrolidin-2-one?
The InChIKey is LLUFSYZJFHVLMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO/c1-5-4-7(9)8(3)6(5)2/h6H,1,4H2,2-3H3.
What are the key properties of 1,5-dimethyl-4-methylidenepyrrolidin-2-one?
1,5-dimethyl-4-methylidenepyrrolidin-2-one has a molecular weight of 125.17 g/mol, XLogP of 0.79, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dimethyl-4-methylidenepyrrolidin-2-one is sourced from PubChem (CID 59872944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).