5-methylidene-3a,4,6,6a-tetrahydro-1H-cyclopenta[c]furan-3-one

C8H10O2 — CID 564525

IUPAC5-methylidene-3a,4,6,6a-tetrahydro-1H-cyclopenta[c]furan-3-one
SMILESC=C1CC2COC(=O)C2C1
InChIInChI=1S/C8H10O2/c1-5-2-6-4-10-8(9)7(6)3-5/h6-7H,1-4H2
InChIKeyFHSPHORVAOQBCD-UHFFFAOYSA-N
MW138.17 g/mol
LogP1.13
Rot. Bonds

About 5-methylidene-3a,4,6,6a-tetrahydro-1H-cyclopenta[c]furan-3-one

5-methylidene-3a,4,6,6a-tetrahydro-1H-cyclopenta[c]furan-3-one (PubChem CID 564525) has the molecular formula C8H10O2 and a molecular weight of 138.17 g/mol. Its IUPAC name is 5-methylidene-3a,4,6,6a-tetrahydro-1H-cyclopenta[c]furan-3-one.

Molecular Properties

Compound Name5-methylidene-3a,4,6,6a-tetrahydro-1H-cyclopenta[c]furan-3-one
PubChem CID564525
Molecular FormulaC8H10O2
Molecular Weight138.17 g/mol
Exact Mass138.07
IUPAC Name5-methylidene-3a,4,6,6a-tetrahydro-1H-cyclopenta[c]furan-3-one
SMILESC=C1CC2COC(=O)C2C1
InChIInChI=1S/C8H10O2/c1-5-2-6-4-10-8(9)7(6)3-5/h6-7H,1-4H2
InChIKeyFHSPHORVAOQBCD-UHFFFAOYSA-N
XLogP1.13
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.17
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 5-methylidene-3a,4,6,6a-tetrahydro-1H-cyclopenta[c]furan-3-one?
The IUPAC name of 5-methylidene-3a,4,6,6a-tetrahydro-1H-cyclopenta[c]furan-3-one (CID 564525) is 5-methylidene-3a,4,6,6a-tetrahydro-1H-cyclopenta[c]furan-3-one.
What is the SMILES notation for 5-methylidene-3a,4,6,6a-tetrahydro-1H-cyclopenta[c]furan-3-one?
The canonical SMILES for 5-methylidene-3a,4,6,6a-tetrahydro-1H-cyclopenta[c]furan-3-one is C=C1CC2COC(=O)C2C1.
What is the InChIKey of 5-methylidene-3a,4,6,6a-tetrahydro-1H-cyclopenta[c]furan-3-one?
The InChIKey is FHSPHORVAOQBCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10O2/c1-5-2-6-4-10-8(9)7(6)3-5/h6-7H,1-4H2.
What are the key properties of 5-methylidene-3a,4,6,6a-tetrahydro-1H-cyclopenta[c]furan-3-one?
5-methylidene-3a,4,6,6a-tetrahydro-1H-cyclopenta[c]furan-3-one has a molecular weight of 138.17 g/mol, XLogP of 1.13, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methylidene-3a,4,6,6a-tetrahydro-1H-cyclopenta[c]furan-3-one is sourced from PubChem (CID 564525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).