3-ethenyloxan-2-one

C7H10O2 — CID 13205474

IUPAC3-ethenyloxan-2-one
SMILESC=CC1CCCOC1=O
InChIInChI=1S/C7H10O2/c1-2-6-4-3-5-9-7(6)8/h2,6H,1,3-5H2
InChIKeyVRGMVOYHYVNOMI-UHFFFAOYSA-N
MW126.16 g/mol
LogP1.13
Rot. Bonds1

About 3-ethenyloxan-2-one

3-ethenyloxan-2-one (PubChem CID 13205474) has the molecular formula C7H10O2 and a molecular weight of 126.16 g/mol. Its IUPAC name is 3-ethenyloxan-2-one.

Molecular Properties

Compound Name3-ethenyloxan-2-one
PubChem CID13205474
Molecular FormulaC7H10O2
Molecular Weight126.16 g/mol
Exact Mass126.07
IUPAC Name3-ethenyloxan-2-one
SMILESC=CC1CCCOC1=O
InChIInChI=1S/C7H10O2/c1-2-6-4-3-5-9-7(6)8/h2,6H,1,3-5H2
InChIKeyVRGMVOYHYVNOMI-UHFFFAOYSA-N
XLogP1.13
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.16
LogP ≤ 51.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

tetrahydro-3-(2-propenyl)-2H-pyran-2-one
CID 11263532
(R)-4-vinyltetrahydro-2H-pyran-2-one
CID 101412797
2H-Pyran-2-one, 4-ethenyltetrahydro-
CID 543133
4-Prop-2-enyloxan-2-one
CID 10558704
4-Prop-2-enyloxane-2,6-dione
CID 71479718
Hexen-3-carbonsaureathylester
CID 129628300
(3R,4S)-4-methyl-3-prop-2-enyloxan-2-one
CID 134944462
3-[(E)-hept-1-enyl]oxan-2-one
CID 135081003
3-But-3-enyloxan-2-one
CID 10441899
5-Prop-2-enyloxan-2-one
CID 10654298
Ethyl 2-Methyl-5-hexenoate
CID 13119639
Ethyl 4-methylhex-5-enoate
CID 13843629

Frequently Asked Questions

What is the IUPAC name of 3-ethenyloxan-2-one?
The IUPAC name of 3-ethenyloxan-2-one (CID 13205474) is 3-ethenyloxan-2-one.
What is the SMILES notation for 3-ethenyloxan-2-one?
The canonical SMILES for 3-ethenyloxan-2-one is C=CC1CCCOC1=O.
What is the InChIKey of 3-ethenyloxan-2-one?
The InChIKey is VRGMVOYHYVNOMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10O2/c1-2-6-4-3-5-9-7(6)8/h2,6H,1,3-5H2.
What are the key properties of 3-ethenyloxan-2-one?
3-ethenyloxan-2-one has a molecular weight of 126.16 g/mol, XLogP of 1.13, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethenyloxan-2-one is sourced from PubChem (CID 13205474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).