1-methyl-3,4-dimethylidenepyrrolidin-2-one

C7H9NO — CID 59912760

IUPAC1-methyl-3,4-dimethylidenepyrrolidin-2-one
SMILESC=C1CN(C)C(=O)C1=C
InChIInChI=1S/C7H9NO/c1-5-4-8(3)7(9)6(5)2/h1-2,4H2,3H3
InChIKeyWLKICRBKYQDYMM-UHFFFAOYSA-N
MW123.15 g/mol
LogP0.57
Rot. Bonds

About 1-methyl-3,4-dimethylidenepyrrolidin-2-one

1-methyl-3,4-dimethylidenepyrrolidin-2-one (PubChem CID 59912760) has the molecular formula C7H9NO and a molecular weight of 123.15 g/mol. Its IUPAC name is 1-methyl-3,4-dimethylidenepyrrolidin-2-one.

Molecular Properties

Compound Name1-methyl-3,4-dimethylidenepyrrolidin-2-one
PubChem CID59912760
Molecular FormulaC7H9NO
Molecular Weight123.15 g/mol
Exact Mass123.07
IUPAC Name1-methyl-3,4-dimethylidenepyrrolidin-2-one
SMILESC=C1CN(C)C(=O)C1=C
InChIInChI=1S/C7H9NO/c1-5-4-8(3)7(9)6(5)2/h1-2,4H2,3H3
InChIKeyWLKICRBKYQDYMM-UHFFFAOYSA-N
XLogP0.57
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500123.15
LogP ≤ 50.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3,4-dimethylidenepyrrolidin-2-one?
The IUPAC name of 1-methyl-3,4-dimethylidenepyrrolidin-2-one (CID 59912760) is 1-methyl-3,4-dimethylidenepyrrolidin-2-one.
What is the SMILES notation for 1-methyl-3,4-dimethylidenepyrrolidin-2-one?
The canonical SMILES for 1-methyl-3,4-dimethylidenepyrrolidin-2-one is C=C1CN(C)C(=O)C1=C.
What is the InChIKey of 1-methyl-3,4-dimethylidenepyrrolidin-2-one?
The InChIKey is WLKICRBKYQDYMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9NO/c1-5-4-8(3)7(9)6(5)2/h1-2,4H2,3H3.
What are the key properties of 1-methyl-3,4-dimethylidenepyrrolidin-2-one?
1-methyl-3,4-dimethylidenepyrrolidin-2-one has a molecular weight of 123.15 g/mol, XLogP of 0.57, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3,4-dimethylidenepyrrolidin-2-one is sourced from PubChem (CID 59912760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).