1-methyl-3-prop-2-enylpyrrolidin-2-one

C8H13NO — CID 13088193

IUPAC1-methyl-3-prop-2-enylpyrrolidin-2-one
SMILESC=CCC1CCN(C)C1=O
InChIInChI=1S/C8H13NO/c1-3-4-7-5-6-9(2)8(7)10/h3,7H,1,4-6H2,2H3
InChIKeyIIFVQODKONTZGC-UHFFFAOYSA-N
MW139.20 g/mol
LogP1.04
Rot. Bonds2

About 1-methyl-3-prop-2-enylpyrrolidin-2-one

1-methyl-3-prop-2-enylpyrrolidin-2-one (PubChem CID 13088193) has the molecular formula C8H13NO and a molecular weight of 139.20 g/mol. Its IUPAC name is 1-methyl-3-prop-2-enylpyrrolidin-2-one.

Molecular Properties

Compound Name1-methyl-3-prop-2-enylpyrrolidin-2-one
PubChem CID13088193
Molecular FormulaC8H13NO
Molecular Weight139.20 g/mol
Exact Mass139.10
IUPAC Name1-methyl-3-prop-2-enylpyrrolidin-2-one
SMILESC=CCC1CCN(C)C1=O
InChIInChI=1S/C8H13NO/c1-3-4-7-5-6-9(2)8(7)10/h3,7H,1,4-6H2,2H3
InChIKeyIIFVQODKONTZGC-UHFFFAOYSA-N
XLogP1.04
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.20
LogP ≤ 51.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1-methyl-3-prop-2-enylpyrrolidin-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-methyl-3-prop-2-enylpyrrolidin-2-one?
The IUPAC name of 1-methyl-3-prop-2-enylpyrrolidin-2-one (CID 13088193) is 1-methyl-3-prop-2-enylpyrrolidin-2-one.
What is the SMILES notation for 1-methyl-3-prop-2-enylpyrrolidin-2-one?
The canonical SMILES for 1-methyl-3-prop-2-enylpyrrolidin-2-one is C=CCC1CCN(C)C1=O.
What is the InChIKey of 1-methyl-3-prop-2-enylpyrrolidin-2-one?
The InChIKey is IIFVQODKONTZGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO/c1-3-4-7-5-6-9(2)8(7)10/h3,7H,1,4-6H2,2H3.
What are the key properties of 1-methyl-3-prop-2-enylpyrrolidin-2-one?
1-methyl-3-prop-2-enylpyrrolidin-2-one has a molecular weight of 139.20 g/mol, XLogP of 1.04, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-prop-2-enylpyrrolidin-2-one is sourced from PubChem (CID 13088193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).