4-ethenyl-1-ethylazetidin-2-one

C7H11NO — CID 150972777

IUPAC4-ethenyl-1-ethylazetidin-2-one
SMILESC=CC1CC(=O)N1CC
InChIInChI=1S/C7H11NO/c1-3-6-5-7(9)8(6)4-2/h3,6H,1,4-5H2,2H3
InChIKeyLOLRCZSFWBHUFZ-UHFFFAOYSA-N
MW125.17 g/mol
LogP0.79
Rot. Bonds2

About 4-ethenyl-1-ethylazetidin-2-one

4-ethenyl-1-ethylazetidin-2-one (PubChem CID 150972777) has the molecular formula C7H11NO and a molecular weight of 125.17 g/mol. Its IUPAC name is 4-ethenyl-1-ethylazetidin-2-one.

Molecular Properties

Compound Name4-ethenyl-1-ethylazetidin-2-one
PubChem CID150972777
Molecular FormulaC7H11NO
Molecular Weight125.17 g/mol
Exact Mass125.08
IUPAC Name4-ethenyl-1-ethylazetidin-2-one
SMILESC=CC1CC(=O)N1CC
InChIInChI=1S/C7H11NO/c1-3-6-5-7(9)8(6)4-2/h3,6H,1,4-5H2,2H3
InChIKeyLOLRCZSFWBHUFZ-UHFFFAOYSA-N
XLogP0.79
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.17
LogP ≤ 50.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 4-ethenyl-1-ethylazetidin-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

1-ethyl-2-methyl-5-oxopyrrolidine-3-carbonitrile
CID 117022293
1-oxido-4-prop-2-enylazetidin-2-one
CID 88721665
1,3-diethyl-5-prop-2-enyl-1,3,5-triazinane-2,4,6-trione
CID 23042184
(2R,3R)-1,2-diethyl-5-oxopyrrolidine-3-carboxylic acid
CID 124510189
3-ethenyl-2-ethyl-3,4-dihydropyrazole
CID 163229565
1-ethyl-4-methyl-6-oxopiperidine-2-carboxylic acid
CID 130815234
(5R)-1-ethyl-5-methylpyrrolidin-2-one
CID 122427829
(3R)-3-methyl-1-prop-2-enylpyrrolidine-2,5-dione
CID 15757783
5-amino-1-ethyl-6-methylpiperidin-2-one
CID 83682095
(2R,3S)-1-ethyl-5-oxo-2-propan-2-ylpyrrolidine-3-carboxylic acid
CID 82397843
[(2R,3S)-5-oxo-1,2-bis(prop-2-enyl)pyrrolidin-3-yl] acetate
CID 101115559
1-acetyl-5-ethenylpyrrolidin-2-one
CID 19861403

Frequently Asked Questions

What is the IUPAC name of 4-ethenyl-1-ethylazetidin-2-one?
The IUPAC name of 4-ethenyl-1-ethylazetidin-2-one (CID 150972777) is 4-ethenyl-1-ethylazetidin-2-one.
What is the SMILES notation for 4-ethenyl-1-ethylazetidin-2-one?
The canonical SMILES for 4-ethenyl-1-ethylazetidin-2-one is C=CC1CC(=O)N1CC.
What is the InChIKey of 4-ethenyl-1-ethylazetidin-2-one?
The InChIKey is LOLRCZSFWBHUFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO/c1-3-6-5-7(9)8(6)4-2/h3,6H,1,4-5H2,2H3.
What are the key properties of 4-ethenyl-1-ethylazetidin-2-one?
4-ethenyl-1-ethylazetidin-2-one has a molecular weight of 125.17 g/mol, XLogP of 0.79, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethenyl-1-ethylazetidin-2-one is sourced from PubChem (CID 150972777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).