3-propan-2-ylidene-1-prop-2-enylazetidin-2-one

C9H13NO — CID 86134681

IUPAC3-propan-2-ylidene-1-prop-2-enylazetidin-2-one
SMILESC=CCN1CC(=C(C)C)C1=O
InChIInChI=1S/C9H13NO/c1-4-5-10-6-8(7(2)3)9(10)11/h4H,1,5-6H2,2-3H3
InChIKeyYNLBQOOEONXDBT-UHFFFAOYSA-N
MW151.21 g/mol
LogP1.35
Rot. Bonds2

About 3-propan-2-ylidene-1-prop-2-enylazetidin-2-one

3-propan-2-ylidene-1-prop-2-enylazetidin-2-one (PubChem CID 86134681) has the molecular formula C9H13NO and a molecular weight of 151.21 g/mol. Its IUPAC name is 3-propan-2-ylidene-1-prop-2-enylazetidin-2-one.

Molecular Properties

Compound Name3-propan-2-ylidene-1-prop-2-enylazetidin-2-one
PubChem CID86134681
Molecular FormulaC9H13NO
Molecular Weight151.21 g/mol
Exact Mass151.10
IUPAC Name3-propan-2-ylidene-1-prop-2-enylazetidin-2-one
SMILESC=CCN1CC(=C(C)C)C1=O
InChIInChI=1S/C9H13NO/c1-4-5-10-6-8(7(2)3)9(10)11/h4H,1,5-6H2,2-3H3
InChIKeyYNLBQOOEONXDBT-UHFFFAOYSA-N
XLogP1.35
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.21
LogP ≤ 51.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 3-propan-2-ylidene-1-prop-2-enylazetidin-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 3-propan-2-ylidene-1-prop-2-enylazetidin-2-one?
The IUPAC name of 3-propan-2-ylidene-1-prop-2-enylazetidin-2-one (CID 86134681) is 3-propan-2-ylidene-1-prop-2-enylazetidin-2-one.
What is the SMILES notation for 3-propan-2-ylidene-1-prop-2-enylazetidin-2-one?
The canonical SMILES for 3-propan-2-ylidene-1-prop-2-enylazetidin-2-one is C=CCN1CC(=C(C)C)C1=O.
What is the InChIKey of 3-propan-2-ylidene-1-prop-2-enylazetidin-2-one?
The InChIKey is YNLBQOOEONXDBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO/c1-4-5-10-6-8(7(2)3)9(10)11/h4H,1,5-6H2,2-3H3.
What are the key properties of 3-propan-2-ylidene-1-prop-2-enylazetidin-2-one?
3-propan-2-ylidene-1-prop-2-enylazetidin-2-one has a molecular weight of 151.21 g/mol, XLogP of 1.35, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propan-2-ylidene-1-prop-2-enylazetidin-2-one is sourced from PubChem (CID 86134681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).