5-prop-2-enyloxan-2-one

C8H12O2 — CID 10654298

IUPAC5-prop-2-enyloxan-2-one
SMILESC=CCC1CCC(=O)OC1
InChIInChI=1S/C8H12O2/c1-2-3-7-4-5-8(9)10-6-7/h2,7H,1,3-6H2
InChIKeyCAAJQJNUINJKLU-UHFFFAOYSA-N
MW140.18 g/mol
LogP1.52
Rot. Bonds2

About 5-prop-2-enyloxan-2-one

5-prop-2-enyloxan-2-one (PubChem CID 10654298) has the molecular formula C8H12O2 and a molecular weight of 140.18 g/mol. Its IUPAC name is 5-prop-2-enyloxan-2-one.

Molecular Properties

Compound Name5-prop-2-enyloxan-2-one
PubChem CID10654298
Molecular FormulaC8H12O2
Molecular Weight140.18 g/mol
Exact Mass140.08
IUPAC Name5-prop-2-enyloxan-2-one
SMILESC=CCC1CCC(=O)OC1
InChIInChI=1S/C8H12O2/c1-2-3-7-4-5-8(9)10-6-7/h2,7H,1,3-6H2
InChIKeyCAAJQJNUINJKLU-UHFFFAOYSA-N
XLogP1.52
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.18
LogP ≤ 51.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 5-prop-2-enyloxan-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

3-(Prop-2-en-1-yl)oxane-2,6-dione
CID 15548830
3-But-3-enyloxolan-2-one
CID 10080487
(4aS,7aR)-4,4a,7,7a-tetrahydro-1H-cyclopenta[c]pyran-3-one
CID 10374523
Ethyl 3-ethenylhexanoate
CID 10080811
tetrahydro-3-(2-propenyl)-2H-pyran-2-one
CID 11263532
2-Allyl-hexanoic acid ethyl ester
CID 24978297
4-Vinyl-caprolactone
CID 53776942
cis-Pent-2-enyl-pentanolide
CID 67243802
Methyl 3-ethenylhexanoate
CID 86203534
(R)-4-vinyltetrahydro-2H-pyran-2-one
CID 101412797
(3S)-3-methyl-3-prop-2-enyloxan-2-one
CID 121263050
3-ethyl-6-vinyltetrahydro-2H-pyran-2-one
CID 163360649

Frequently Asked Questions

What is the IUPAC name of 5-prop-2-enyloxan-2-one?
The IUPAC name of 5-prop-2-enyloxan-2-one (CID 10654298) is 5-prop-2-enyloxan-2-one.
What is the SMILES notation for 5-prop-2-enyloxan-2-one?
The canonical SMILES for 5-prop-2-enyloxan-2-one is C=CCC1CCC(=O)OC1.
What is the InChIKey of 5-prop-2-enyloxan-2-one?
The InChIKey is CAAJQJNUINJKLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12O2/c1-2-3-7-4-5-8(9)10-6-7/h2,7H,1,3-6H2.
What are the key properties of 5-prop-2-enyloxan-2-one?
5-prop-2-enyloxan-2-one has a molecular weight of 140.18 g/mol, XLogP of 1.52, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-prop-2-enyloxan-2-one is sourced from PubChem (CID 10654298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).