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

C8H10O2 — CID 57286518

IUPAC(3aS,6aS)-5-methylidene-3a,4,6,6a-tetrahydro-1H-cyclopenta[c]furan-3-one
SMILESC=C1C[C@@H]2COC(=O)[C@H]2C1
InChIInChI=1S/C8H10O2/c1-5-2-6-4-10-8(9)7(6)3-5/h6-7H,1-4H2/t6-,7+/m1/s1
InChIKeyFHSPHORVAOQBCD-RQJHMYQMSA-N
MW138.17 g/mol
LogP1.13
Rot. Bonds

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

(3aS,6aS)-5-methylidene-3a,4,6,6a-tetrahydro-1H-cyclopenta[c]furan-3-one (PubChem CID 57286518) has the molecular formula C8H10O2 and a molecular weight of 138.17 g/mol. Its IUPAC name is (3aS,6aS)-5-methylidene-3a,4,6,6a-tetrahydro-1H-cyclopenta[c]furan-3-one.

Molecular Properties

Compound Name(3aS,6aS)-5-methylidene-3a,4,6,6a-tetrahydro-1H-cyclopenta[c]furan-3-one
PubChem CID57286518
Molecular FormulaC8H10O2
Molecular Weight138.17 g/mol
Exact Mass138.07
IUPAC Name(3aS,6aS)-5-methylidene-3a,4,6,6a-tetrahydro-1H-cyclopenta[c]furan-3-one
SMILESC=C1C[C@@H]2COC(=O)[C@H]2C1
InChIInChI=1S/C8H10O2/c1-5-2-6-4-10-8(9)7(6)3-5/h6-7H,1-4H2/t6-,7+/m1/s1
InChIKeyFHSPHORVAOQBCD-RQJHMYQMSA-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 (3aS,6aS)-5-methylidene-3a,4,6,6a-tetrahydro-1H-cyclopenta[c]furan-3-one?
The IUPAC name of (3aS,6aS)-5-methylidene-3a,4,6,6a-tetrahydro-1H-cyclopenta[c]furan-3-one (CID 57286518) is (3aS,6aS)-5-methylidene-3a,4,6,6a-tetrahydro-1H-cyclopenta[c]furan-3-one.
What is the SMILES notation for (3aS,6aS)-5-methylidene-3a,4,6,6a-tetrahydro-1H-cyclopenta[c]furan-3-one?
The canonical SMILES for (3aS,6aS)-5-methylidene-3a,4,6,6a-tetrahydro-1H-cyclopenta[c]furan-3-one is C=C1C[C@@H]2COC(=O)[C@H]2C1.
What is the InChIKey of (3aS,6aS)-5-methylidene-3a,4,6,6a-tetrahydro-1H-cyclopenta[c]furan-3-one?
The InChIKey is FHSPHORVAOQBCD-RQJHMYQMSA-N. The full InChI is InChI=1S/C8H10O2/c1-5-2-6-4-10-8(9)7(6)3-5/h6-7H,1-4H2/t6-,7+/m1/s1.
What are the key properties of (3aS,6aS)-5-methylidene-3a,4,6,6a-tetrahydro-1H-cyclopenta[c]furan-3-one?
(3aS,6aS)-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 (3aS,6aS)-5-methylidene-3a,4,6,6a-tetrahydro-1H-cyclopenta[c]furan-3-one is sourced from PubChem (CID 57286518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).