1-methyl-3,3-bis(prop-2-enyl)pyrrolidin-2-one

C11H17NO — CID 86255489

IUPAC1-methyl-3,3-bis(prop-2-enyl)pyrrolidin-2-one
SMILESC=CCC1(CC=C)CCN(C)C1=O
InChIInChI=1S/C11H17NO/c1-4-6-11(7-5-2)8-9-12(3)10(11)13/h4-5H,1-2,6-9H2,3H3
InChIKeyCZJZPXBOYKGQBJ-UHFFFAOYSA-N
MW179.26 g/mol
LogP1.99
Rot. Bonds4

About 1-methyl-3,3-bis(prop-2-enyl)pyrrolidin-2-one

1-methyl-3,3-bis(prop-2-enyl)pyrrolidin-2-one (PubChem CID 86255489) has the molecular formula C11H17NO and a molecular weight of 179.26 g/mol. Its IUPAC name is 1-methyl-3,3-bis(prop-2-enyl)pyrrolidin-2-one.

Molecular Properties

Compound Name1-methyl-3,3-bis(prop-2-enyl)pyrrolidin-2-one
PubChem CID86255489
Molecular FormulaC11H17NO
Molecular Weight179.26 g/mol
Exact Mass179.13
IUPAC Name1-methyl-3,3-bis(prop-2-enyl)pyrrolidin-2-one
SMILESC=CCC1(CC=C)CCN(C)C1=O
InChIInChI=1S/C11H17NO/c1-4-6-11(7-5-2)8-9-12(3)10(11)13/h4-5H,1-2,6-9H2,3H3
InChIKeyCZJZPXBOYKGQBJ-UHFFFAOYSA-N
XLogP1.99
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 ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1-methyl-3,3-bis(prop-2-enyl)pyrrolidin-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-3,3-bis(prop-2-enyl)pyrrolidin-2-one?
The IUPAC name of 1-methyl-3,3-bis(prop-2-enyl)pyrrolidin-2-one (CID 86255489) is 1-methyl-3,3-bis(prop-2-enyl)pyrrolidin-2-one.
What is the SMILES notation for 1-methyl-3,3-bis(prop-2-enyl)pyrrolidin-2-one?
The canonical SMILES for 1-methyl-3,3-bis(prop-2-enyl)pyrrolidin-2-one is C=CCC1(CC=C)CCN(C)C1=O.
What is the InChIKey of 1-methyl-3,3-bis(prop-2-enyl)pyrrolidin-2-one?
The InChIKey is CZJZPXBOYKGQBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO/c1-4-6-11(7-5-2)8-9-12(3)10(11)13/h4-5H,1-2,6-9H2,3H3.
What are the key properties of 1-methyl-3,3-bis(prop-2-enyl)pyrrolidin-2-one?
1-methyl-3,3-bis(prop-2-enyl)pyrrolidin-2-one has a molecular weight of 179.26 g/mol, XLogP of 1.99, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3,3-bis(prop-2-enyl)pyrrolidin-2-one is sourced from PubChem (CID 86255489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).