(3aR)-4-methyl-1,3a,4,6a-tetrahydrocyclopenta[c]furan-3-one

C8H10O2 — CID 70125180

IUPAC(3aR)-4-methyl-1,3a,4,6a-tetrahydrocyclopenta[c]furan-3-one
SMILESCC1C=CC2COC(=O)[C@H]12
InChIInChI=1S/C8H10O2/c1-5-2-3-6-4-10-8(9)7(5)6/h2-3,5-7H,4H2,1H3/t5?,6?,7-/m1/s1
InChIKeyFBFOAZNJGCSPMQ-KPGICGJXSA-N
MW138.17 g/mol
LogP0.98
Rot. Bonds

About (3aR)-4-methyl-1,3a,4,6a-tetrahydrocyclopenta[c]furan-3-one

(3aR)-4-methyl-1,3a,4,6a-tetrahydrocyclopenta[c]furan-3-one (PubChem CID 70125180) has the molecular formula C8H10O2 and a molecular weight of 138.17 g/mol. Its IUPAC name is (3aR)-4-methyl-1,3a,4,6a-tetrahydrocyclopenta[c]furan-3-one.

Molecular Properties

Compound Name(3aR)-4-methyl-1,3a,4,6a-tetrahydrocyclopenta[c]furan-3-one
PubChem CID70125180
Molecular FormulaC8H10O2
Molecular Weight138.17 g/mol
Exact Mass138.07
IUPAC Name(3aR)-4-methyl-1,3a,4,6a-tetrahydrocyclopenta[c]furan-3-one
SMILESCC1C=CC2COC(=O)[C@H]12
InChIInChI=1S/C8H10O2/c1-5-2-3-6-4-10-8(9)7(5)6/h2-3,5-7H,4H2,1H3/t5?,6?,7-/m1/s1
InChIKeyFBFOAZNJGCSPMQ-KPGICGJXSA-N
XLogP0.98
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 ≤ 50.98
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 (3aR)-4-methyl-1,3a,4,6a-tetrahydrocyclopenta[c]furan-3-one?
The IUPAC name of (3aR)-4-methyl-1,3a,4,6a-tetrahydrocyclopenta[c]furan-3-one (CID 70125180) is (3aR)-4-methyl-1,3a,4,6a-tetrahydrocyclopenta[c]furan-3-one.
What is the SMILES notation for (3aR)-4-methyl-1,3a,4,6a-tetrahydrocyclopenta[c]furan-3-one?
The canonical SMILES for (3aR)-4-methyl-1,3a,4,6a-tetrahydrocyclopenta[c]furan-3-one is CC1C=CC2COC(=O)[C@H]12.
What is the InChIKey of (3aR)-4-methyl-1,3a,4,6a-tetrahydrocyclopenta[c]furan-3-one?
The InChIKey is FBFOAZNJGCSPMQ-KPGICGJXSA-N. The full InChI is InChI=1S/C8H10O2/c1-5-2-3-6-4-10-8(9)7(5)6/h2-3,5-7H,4H2,1H3/t5?,6?,7-/m1/s1.
What are the key properties of (3aR)-4-methyl-1,3a,4,6a-tetrahydrocyclopenta[c]furan-3-one?
(3aR)-4-methyl-1,3a,4,6a-tetrahydrocyclopenta[c]furan-3-one has a molecular weight of 138.17 g/mol, XLogP of 0.98, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3aR)-4-methyl-1,3a,4,6a-tetrahydrocyclopenta[c]furan-3-one is sourced from PubChem (CID 70125180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).