2-ethenyloxan-3-one

C7H10O2 — CID 141487218

IUPAC2-ethenyloxan-3-one
SMILESC=CC1OCCCC1=O
InChIInChI=1S/C7H10O2/c1-2-7-6(8)4-3-5-9-7/h2,7H,1,3-5H2
InChIKeyFYOGCRWCSOFCGF-UHFFFAOYSA-N
MW126.15 g/mol
LogP0.92
Rot. Bonds1

About 2-ethenyloxan-3-one

2-ethenyloxan-3-one (PubChem CID 141487218) has the molecular formula C7H10O2 and a molecular weight of 126.15 g/mol. Its IUPAC name is 2-ethenyloxan-3-one.

Molecular Properties

Compound Name2-ethenyloxan-3-one
PubChem CID141487218
Molecular FormulaC7H10O2
Molecular Weight126.15 g/mol
Exact Mass126.07
IUPAC Name2-ethenyloxan-3-one
SMILESC=CC1OCCCC1=O
InChIInChI=1S/C7H10O2/c1-2-7-6(8)4-3-5-9-7/h2,7H,1,3-5H2
InChIKeyFYOGCRWCSOFCGF-UHFFFAOYSA-N
XLogP0.92
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.15
LogP ≤ 50.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-ethenyloxan-3-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

8-Oxabicyclo[3.2.1]oct-6-en-2-one
CID 66846074
2-Prop-2-enyloxan-3-one
CID 11040778
(1R,5R)-8-oxabicyclo[3.2.1]oct-6-en-2-one
CID 130764589
2-[(E)-hex-1-enyl]oxan-3-one
CID 10965158
1-Prop-2-enoxyhex-5-en-2-one
CID 53999805
5-Methylideneoxan-3-one
CID 57776042
2-Ethenyloxan-4-one
CID 140006523
6-Ethenyloxan-3-one
CID 163602265
6-Ethenyl-4-ethyloxan-3-one
CID 169667248
(1S,5S)-8-oxabicyclo[3.2.1]oct-6-en-2-one
CID 15256108

Frequently Asked Questions

What is the IUPAC name of 2-ethenyloxan-3-one?
The IUPAC name of 2-ethenyloxan-3-one (CID 141487218) is 2-ethenyloxan-3-one.
What is the SMILES notation for 2-ethenyloxan-3-one?
The canonical SMILES for 2-ethenyloxan-3-one is C=CC1OCCCC1=O.
What is the InChIKey of 2-ethenyloxan-3-one?
The InChIKey is FYOGCRWCSOFCGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10O2/c1-2-7-6(8)4-3-5-9-7/h2,7H,1,3-5H2.
What are the key properties of 2-ethenyloxan-3-one?
2-ethenyloxan-3-one has a molecular weight of 126.15 g/mol, XLogP of 0.92, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethenyloxan-3-one is sourced from PubChem (CID 141487218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).