1-(2-methylprop-2-enyl)-5-prop-2-enylpyrrolidin-2-one

C11H17NO — CID 121221572

IUPAC1-(2-methylprop-2-enyl)-5-prop-2-enylpyrrolidin-2-one
SMILESC=CCC1CCC(=O)N1CC(=C)C
InChIInChI=1S/C11H17NO/c1-4-5-10-6-7-11(13)12(10)8-9(2)3/h4,10H,1-2,5-8H2,3H3
InChIKeyDOBIZBYQVHZQCY-UHFFFAOYSA-N
MW179.26 g/mol
LogP2.13
Rot. Bonds4

About 1-(2-methylprop-2-enyl)-5-prop-2-enylpyrrolidin-2-one

1-(2-methylprop-2-enyl)-5-prop-2-enylpyrrolidin-2-one (PubChem CID 121221572) has the molecular formula C11H17NO and a molecular weight of 179.26 g/mol. Its IUPAC name is 1-(2-methylprop-2-enyl)-5-prop-2-enylpyrrolidin-2-one.

Molecular Properties

Compound Name1-(2-methylprop-2-enyl)-5-prop-2-enylpyrrolidin-2-one
PubChem CID121221572
Molecular FormulaC11H17NO
Molecular Weight179.26 g/mol
Exact Mass179.13
IUPAC Name1-(2-methylprop-2-enyl)-5-prop-2-enylpyrrolidin-2-one
SMILESC=CCC1CCC(=O)N1CC(=C)C
InChIInChI=1S/C11H17NO/c1-4-5-10-6-7-11(13)12(10)8-9(2)3/h4,10H,1-2,5-8H2,3H3
InChIKeyDOBIZBYQVHZQCY-UHFFFAOYSA-N
XLogP2.13
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.26
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1-(2-methylprop-2-enyl)-5-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-(2-methylprop-2-enyl)-5-prop-2-enylpyrrolidin-2-one?
The IUPAC name of 1-(2-methylprop-2-enyl)-5-prop-2-enylpyrrolidin-2-one (CID 121221572) is 1-(2-methylprop-2-enyl)-5-prop-2-enylpyrrolidin-2-one.
What is the SMILES notation for 1-(2-methylprop-2-enyl)-5-prop-2-enylpyrrolidin-2-one?
The canonical SMILES for 1-(2-methylprop-2-enyl)-5-prop-2-enylpyrrolidin-2-one is C=CCC1CCC(=O)N1CC(=C)C.
What is the InChIKey of 1-(2-methylprop-2-enyl)-5-prop-2-enylpyrrolidin-2-one?
The InChIKey is DOBIZBYQVHZQCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO/c1-4-5-10-6-7-11(13)12(10)8-9(2)3/h4,10H,1-2,5-8H2,3H3.
What are the key properties of 1-(2-methylprop-2-enyl)-5-prop-2-enylpyrrolidin-2-one?
1-(2-methylprop-2-enyl)-5-prop-2-enylpyrrolidin-2-one has a molecular weight of 179.26 g/mol, XLogP of 2.13, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylprop-2-enyl)-5-prop-2-enylpyrrolidin-2-one is sourced from PubChem (CID 121221572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).