3a-methyl-4,6a-dihydro-1H-cyclopenta[c]furan-3-one

C8H10O2 — CID 70126309

IUPAC3a-methyl-4,6a-dihydro-1H-cyclopenta[c]furan-3-one
SMILESCC12CC=CC1COC2=O
InChIInChI=1S/C8H10O2/c1-8-4-2-3-6(8)5-10-7(8)9/h2-3,6H,4-5H2,1H3
InChIKeySXAFXJZEWZCPGS-UHFFFAOYSA-N
MW138.17 g/mol
LogP1.13
Rot. Bonds

About 3a-methyl-4,6a-dihydro-1H-cyclopenta[c]furan-3-one

3a-methyl-4,6a-dihydro-1H-cyclopenta[c]furan-3-one (PubChem CID 70126309) has the molecular formula C8H10O2 and a molecular weight of 138.17 g/mol. Its IUPAC name is 3a-methyl-4,6a-dihydro-1H-cyclopenta[c]furan-3-one.

Molecular Properties

Compound Name3a-methyl-4,6a-dihydro-1H-cyclopenta[c]furan-3-one
PubChem CID70126309
Molecular FormulaC8H10O2
Molecular Weight138.17 g/mol
Exact Mass138.07
IUPAC Name3a-methyl-4,6a-dihydro-1H-cyclopenta[c]furan-3-one
SMILESCC12CC=CC1COC2=O
InChIInChI=1S/C8H10O2/c1-8-4-2-3-6(8)5-10-7(8)9/h2-3,6H,4-5H2,1H3
InChIKeySXAFXJZEWZCPGS-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 3a-methyl-4,6a-dihydro-1H-cyclopenta[c]furan-3-one?
The IUPAC name of 3a-methyl-4,6a-dihydro-1H-cyclopenta[c]furan-3-one (CID 70126309) is 3a-methyl-4,6a-dihydro-1H-cyclopenta[c]furan-3-one.
What is the SMILES notation for 3a-methyl-4,6a-dihydro-1H-cyclopenta[c]furan-3-one?
The canonical SMILES for 3a-methyl-4,6a-dihydro-1H-cyclopenta[c]furan-3-one is CC12CC=CC1COC2=O.
What is the InChIKey of 3a-methyl-4,6a-dihydro-1H-cyclopenta[c]furan-3-one?
The InChIKey is SXAFXJZEWZCPGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10O2/c1-8-4-2-3-6(8)5-10-7(8)9/h2-3,6H,4-5H2,1H3.
What are the key properties of 3a-methyl-4,6a-dihydro-1H-cyclopenta[c]furan-3-one?
3a-methyl-4,6a-dihydro-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 3a-methyl-4,6a-dihydro-1H-cyclopenta[c]furan-3-one is sourced from PubChem (CID 70126309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).