1-ethyl-3-prop-2-enylazetidine-2,4-dione

C8H11NO2 — CID 23382722

IUPAC1-ethyl-3-prop-2-enylazetidine-2,4-dione
SMILESC=CCC1C(=O)N(CC)C1=O
InChIInChI=1S/C8H11NO2/c1-3-5-6-7(10)9(4-2)8(6)11/h3,6H,1,4-5H2,2H3
InChIKeyJUVUQHLJWRSUTD-UHFFFAOYSA-N
MW153.18 g/mol
LogP0.57
Rot. Bonds3

About 1-ethyl-3-prop-2-enylazetidine-2,4-dione

1-ethyl-3-prop-2-enylazetidine-2,4-dione (PubChem CID 23382722) has the molecular formula C8H11NO2 and a molecular weight of 153.18 g/mol. Its IUPAC name is 1-ethyl-3-prop-2-enylazetidine-2,4-dione.

Molecular Properties

Compound Name1-ethyl-3-prop-2-enylazetidine-2,4-dione
PubChem CID23382722
Molecular FormulaC8H11NO2
Molecular Weight153.18 g/mol
Exact Mass153.08
IUPAC Name1-ethyl-3-prop-2-enylazetidine-2,4-dione
SMILESC=CCC1C(=O)N(CC)C1=O
InChIInChI=1S/C8H11NO2/c1-3-5-6-7(10)9(4-2)8(6)11/h3,6H,1,4-5H2,2H3
InChIKeyJUVUQHLJWRSUTD-UHFFFAOYSA-N
XLogP0.57
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.18
LogP ≤ 50.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 1-ethyl-3-prop-2-enylazetidine-2,4-dione 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-ethyl-3-prop-2-enylazetidine-2,4-dione?
The IUPAC name of 1-ethyl-3-prop-2-enylazetidine-2,4-dione (CID 23382722) is 1-ethyl-3-prop-2-enylazetidine-2,4-dione.
What is the SMILES notation for 1-ethyl-3-prop-2-enylazetidine-2,4-dione?
The canonical SMILES for 1-ethyl-3-prop-2-enylazetidine-2,4-dione is C=CCC1C(=O)N(CC)C1=O.
What is the InChIKey of 1-ethyl-3-prop-2-enylazetidine-2,4-dione?
The InChIKey is JUVUQHLJWRSUTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO2/c1-3-5-6-7(10)9(4-2)8(6)11/h3,6H,1,4-5H2,2H3.
What are the key properties of 1-ethyl-3-prop-2-enylazetidine-2,4-dione?
1-ethyl-3-prop-2-enylazetidine-2,4-dione has a molecular weight of 153.18 g/mol, XLogP of 0.57, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-prop-2-enylazetidine-2,4-dione is sourced from PubChem (CID 23382722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).