4-prop-1-enyloxolan-2-one

C7H10O2 — CID 85320668

IUPAC4-prop-1-enyloxolan-2-one
SMILESCC=CC1COC(=O)C1
InChIInChI=1S/C7H10O2/c1-2-3-6-4-7(8)9-5-6/h2-3,6H,4-5H2,1H3
InChIKeyLLNJOXWGZNMXKA-UHFFFAOYSA-N
MW126.15 g/mol
LogP1.13
Rot. Bonds1

About 4-prop-1-enyloxolan-2-one

4-prop-1-enyloxolan-2-one (PubChem CID 85320668) has the molecular formula C7H10O2 and a molecular weight of 126.15 g/mol. Its IUPAC name is 4-prop-1-enyloxolan-2-one.

Molecular Properties

Compound Name4-prop-1-enyloxolan-2-one
PubChem CID85320668
Molecular FormulaC7H10O2
Molecular Weight126.15 g/mol
Exact Mass126.07
IUPAC Name4-prop-1-enyloxolan-2-one
SMILESCC=CC1COC(=O)C1
InChIInChI=1S/C7H10O2/c1-2-3-6-4-7(8)9-5-6/h2-3,6H,4-5H2,1H3
InChIKeyLLNJOXWGZNMXKA-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 ≤ 500126.15
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-prop-1-enyloxolan-2-one?
The IUPAC name of 4-prop-1-enyloxolan-2-one (CID 85320668) is 4-prop-1-enyloxolan-2-one.
What is the SMILES notation for 4-prop-1-enyloxolan-2-one?
The canonical SMILES for 4-prop-1-enyloxolan-2-one is CC=CC1COC(=O)C1.
What is the InChIKey of 4-prop-1-enyloxolan-2-one?
The InChIKey is LLNJOXWGZNMXKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10O2/c1-2-3-6-4-7(8)9-5-6/h2-3,6H,4-5H2,1H3.
What are the key properties of 4-prop-1-enyloxolan-2-one?
4-prop-1-enyloxolan-2-one has a molecular weight of 126.15 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-prop-1-enyloxolan-2-one is sourced from PubChem (CID 85320668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).