4-prop-1-en-2-yloxolan-2-one

C7H10O2 — CID 10796749

IUPAC4-prop-1-en-2-yloxolan-2-one
SMILESC=C(C)C1COC(=O)C1
InChIInChI=1S/C7H10O2/c1-5(2)6-3-7(8)9-4-6/h6H,1,3-4H2,2H3
InChIKeyFVHAGJVGKNADDQ-UHFFFAOYSA-N
MW126.16 g/mol
LogP1.13
Rot. Bonds1

About 4-prop-1-en-2-yloxolan-2-one

4-prop-1-en-2-yloxolan-2-one (PubChem CID 10796749) has the molecular formula C7H10O2 and a molecular weight of 126.16 g/mol. Its IUPAC name is 4-prop-1-en-2-yloxolan-2-one.

Molecular Properties

Compound Name4-prop-1-en-2-yloxolan-2-one
PubChem CID10796749
Molecular FormulaC7H10O2
Molecular Weight126.16 g/mol
Exact Mass126.07
IUPAC Name4-prop-1-en-2-yloxolan-2-one
SMILESC=C(C)C1COC(=O)C1
InChIInChI=1S/C7H10O2/c1-5(2)6-3-7(8)9-4-6/h6H,1,3-4H2,2H3
InChIKeyFVHAGJVGKNADDQ-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'}

Analyze 4-prop-1-en-2-yloxolan-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

Frequently Asked Questions

What is the IUPAC name of 4-prop-1-en-2-yloxolan-2-one?
The IUPAC name of 4-prop-1-en-2-yloxolan-2-one (CID 10796749) is 4-prop-1-en-2-yloxolan-2-one.
What is the SMILES notation for 4-prop-1-en-2-yloxolan-2-one?
The canonical SMILES for 4-prop-1-en-2-yloxolan-2-one is C=C(C)C1COC(=O)C1.
What is the InChIKey of 4-prop-1-en-2-yloxolan-2-one?
The InChIKey is FVHAGJVGKNADDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10O2/c1-5(2)6-3-7(8)9-4-6/h6H,1,3-4H2,2H3.
What are the key properties of 4-prop-1-en-2-yloxolan-2-one?
4-prop-1-en-2-yloxolan-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-prop-1-en-2-yloxolan-2-one is sourced from PubChem (CID 10796749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).