4-ethenyloxan-2-one

C7H10O2 — CID 543133

IUPAC4-ethenyloxan-2-one
SMILESC=CC1CCOC(=O)C1
InChIInChI=1S/C7H10O2/c1-2-6-3-4-9-7(8)5-6/h2,6H,1,3-5H2
InChIKeyDPTJFTFDPACGGJ-UHFFFAOYSA-N
MW126.16 g/mol
LogP1.13
Rot. Bonds1

About 4-ethenyloxan-2-one

4-ethenyloxan-2-one (PubChem CID 543133) has the molecular formula C7H10O2 and a molecular weight of 126.16 g/mol. Its IUPAC name is 4-ethenyloxan-2-one.

Molecular Properties

Compound Name4-ethenyloxan-2-one
PubChem CID543133
Molecular FormulaC7H10O2
Molecular Weight126.16 g/mol
Exact Mass126.07
IUPAC Name4-ethenyloxan-2-one
SMILESC=CC1CCOC(=O)C1
InChIInChI=1S/C7H10O2/c1-2-6-3-4-9-7(8)5-6/h2,6H,1,3-5H2
InChIKeyDPTJFTFDPACGGJ-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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Frequently Asked Questions

What is the IUPAC name of 4-ethenyloxan-2-one?
The IUPAC name of 4-ethenyloxan-2-one (CID 543133) is 4-ethenyloxan-2-one.
What is the SMILES notation for 4-ethenyloxan-2-one?
The canonical SMILES for 4-ethenyloxan-2-one is C=CC1CCOC(=O)C1.
What is the InChIKey of 4-ethenyloxan-2-one?
The InChIKey is DPTJFTFDPACGGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10O2/c1-2-6-3-4-9-7(8)5-6/h2,6H,1,3-5H2.
What are the key properties of 4-ethenyloxan-2-one?
4-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 4-ethenyloxan-2-one is sourced from PubChem (CID 543133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).