3-methylidene-4-prop-2-enyloxolan-2-one

C8H10O2 — CID 69084539

IUPAC3-methylidene-4-prop-2-enyloxolan-2-one
SMILESC=CCC1COC(=O)C1=C
InChIInChI=1S/C8H10O2/c1-3-4-7-5-10-8(9)6(7)2/h3,7H,1-2,4-5H2
InChIKeyHAHIYMJSQHFMBW-UHFFFAOYSA-N
MW138.17 g/mol
LogP1.29
Rot. Bonds2

About 3-methylidene-4-prop-2-enyloxolan-2-one

3-methylidene-4-prop-2-enyloxolan-2-one (PubChem CID 69084539) has the molecular formula C8H10O2 and a molecular weight of 138.17 g/mol. Its IUPAC name is 3-methylidene-4-prop-2-enyloxolan-2-one.

Molecular Properties

Compound Name3-methylidene-4-prop-2-enyloxolan-2-one
PubChem CID69084539
Molecular FormulaC8H10O2
Molecular Weight138.17 g/mol
Exact Mass138.07
IUPAC Name3-methylidene-4-prop-2-enyloxolan-2-one
SMILESC=CCC1COC(=O)C1=C
InChIInChI=1S/C8H10O2/c1-3-4-7-5-10-8(9)6(7)2/h3,7H,1-2,4-5H2
InChIKeyHAHIYMJSQHFMBW-UHFFFAOYSA-N
XLogP1.29
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.17
LogP ≤ 51.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-methylidene-4-prop-2-enyloxolan-2-one?
The IUPAC name of 3-methylidene-4-prop-2-enyloxolan-2-one (CID 69084539) is 3-methylidene-4-prop-2-enyloxolan-2-one.
What is the SMILES notation for 3-methylidene-4-prop-2-enyloxolan-2-one?
The canonical SMILES for 3-methylidene-4-prop-2-enyloxolan-2-one is C=CCC1COC(=O)C1=C.
What is the InChIKey of 3-methylidene-4-prop-2-enyloxolan-2-one?
The InChIKey is HAHIYMJSQHFMBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10O2/c1-3-4-7-5-10-8(9)6(7)2/h3,7H,1-2,4-5H2.
What are the key properties of 3-methylidene-4-prop-2-enyloxolan-2-one?
3-methylidene-4-prop-2-enyloxolan-2-one has a molecular weight of 138.17 g/mol, XLogP of 1.29, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylidene-4-prop-2-enyloxolan-2-one is sourced from PubChem (CID 69084539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).