1,3-dimethyl-5-methylidenepyrrolidin-2-one

C7H11NO — CID 21050591

IUPAC1,3-dimethyl-5-methylidenepyrrolidin-2-one
SMILESC=C1CC(C)C(=O)N1C
InChIInChI=1S/C7H11NO/c1-5-4-6(2)8(3)7(5)9/h5H,2,4H2,1,3H3
InChIKeyZSVHFTCWBGQHOR-UHFFFAOYSA-N
MW125.17 g/mol
LogP1.00
Rot. Bonds

About 1,3-dimethyl-5-methylidenepyrrolidin-2-one

1,3-dimethyl-5-methylidenepyrrolidin-2-one (PubChem CID 21050591) has the molecular formula C7H11NO and a molecular weight of 125.17 g/mol. Its IUPAC name is 1,3-dimethyl-5-methylidenepyrrolidin-2-one.

Molecular Properties

Compound Name1,3-dimethyl-5-methylidenepyrrolidin-2-one
PubChem CID21050591
Molecular FormulaC7H11NO
Molecular Weight125.17 g/mol
Exact Mass125.08
IUPAC Name1,3-dimethyl-5-methylidenepyrrolidin-2-one
SMILESC=C1CC(C)C(=O)N1C
InChIInChI=1S/C7H11NO/c1-5-4-6(2)8(3)7(5)9/h5H,2,4H2,1,3H3
InChIKeyZSVHFTCWBGQHOR-UHFFFAOYSA-N
XLogP1.00
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 ≤ 51.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1,3-dimethyl-5-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

Related Compounds

Vinyl methylpyrrolidone
CID 21695574
1,3,3-Trimethyl-2-methylene-5-pyrrolidone
CID 89461222
1-Prop-1-en-2-ylpyrrolidin-2-one
CID 13847892
(4S)-4-ethenyl-1-methylpyrrolidin-2-one
CID 166445265
5-methylene-N-methyl-2-pyrrolidone
CID 13462148
1-(2-Methylidenepyrrolidin-1-yl)ethanone
CID 13774186
1-Ethyl-3-methyl-5-methylidenepyrrolidin-2-one
CID 18736407
2-Methyl-1-(2-methylidenepyrrolidin-1-yl)butan-1-one
CID 20704196
1-Ethyl-5-methylidenepyrrolidin-2-one
CID 23088887
5-Methylidene-1-propan-2-ylpyrrolidin-2-one
CID 23088889
3-Methyl-1-prop-1-en-2-ylpyrrolidin-2-one
CID 54511673
1,3-Diethyl-5-methylidenepyrrolidin-2-one
CID 58975945

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-5-methylidenepyrrolidin-2-one?
The IUPAC name of 1,3-dimethyl-5-methylidenepyrrolidin-2-one (CID 21050591) is 1,3-dimethyl-5-methylidenepyrrolidin-2-one.
What is the SMILES notation for 1,3-dimethyl-5-methylidenepyrrolidin-2-one?
The canonical SMILES for 1,3-dimethyl-5-methylidenepyrrolidin-2-one is C=C1CC(C)C(=O)N1C.
What is the InChIKey of 1,3-dimethyl-5-methylidenepyrrolidin-2-one?
The InChIKey is ZSVHFTCWBGQHOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO/c1-5-4-6(2)8(3)7(5)9/h5H,2,4H2,1,3H3.
What are the key properties of 1,3-dimethyl-5-methylidenepyrrolidin-2-one?
1,3-dimethyl-5-methylidenepyrrolidin-2-one has a molecular weight of 125.17 g/mol, XLogP of 1.00, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-5-methylidenepyrrolidin-2-one is sourced from PubChem (CID 21050591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).