1-[(3aS,6aS)-2-methyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[b]furan-3-yl]ethanone

C10H14O2 — CID 93498835

IUPAC1-[(3aS,6aS)-2-methyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[b]furan-3-yl]ethanone
SMILESCC(=O)C1=C(C)O[C@H]2CCC[C@@H]12
InChIInChI=1S/C10H14O2/c1-6(11)10-7(2)12-9-5-3-4-8(9)10/h8-9H,3-5H2,1-2H3/t8-,9+/m1/s1
InChIKeyAQRDICNRXJDESM-BDAKNGLRSA-N
MW166.22 g/mol
LogP2.05
Rot. Bonds1

About 1-[(3aS,6aS)-2-methyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[b]furan-3-yl]ethanone

1-[(3aS,6aS)-2-methyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[b]furan-3-yl]ethanone (PubChem CID 93498835) has the molecular formula C10H14O2 and a molecular weight of 166.22 g/mol. Its IUPAC name is 1-[(3aS,6aS)-2-methyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[b]furan-3-yl]ethanone.

Molecular Properties

Compound Name1-[(3aS,6aS)-2-methyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[b]furan-3-yl]ethanone
PubChem CID93498835
Molecular FormulaC10H14O2
Molecular Weight166.22 g/mol
Exact Mass166.10
IUPAC Name1-[(3aS,6aS)-2-methyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[b]furan-3-yl]ethanone
SMILESCC(=O)C1=C(C)O[C@H]2CCC[C@@H]12
InChIInChI=1S/C10H14O2/c1-6(11)10-7(2)12-9-5-3-4-8(9)10/h8-9H,3-5H2,1-2H3/t8-,9+/m1/s1
InChIKeyAQRDICNRXJDESM-BDAKNGLRSA-N
XLogP2.05
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.22
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-[(3aS,6aS)-2-methyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[b]furan-3-yl]ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[(3aS,6aS)-2-methyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[b]furan-3-yl]ethanone?
The IUPAC name of 1-[(3aS,6aS)-2-methyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[b]furan-3-yl]ethanone (CID 93498835) is 1-[(3aS,6aS)-2-methyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[b]furan-3-yl]ethanone.
What is the SMILES notation for 1-[(3aS,6aS)-2-methyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[b]furan-3-yl]ethanone?
The canonical SMILES for 1-[(3aS,6aS)-2-methyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[b]furan-3-yl]ethanone is CC(=O)C1=C(C)O[C@H]2CCC[C@@H]12.
What is the InChIKey of 1-[(3aS,6aS)-2-methyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[b]furan-3-yl]ethanone?
The InChIKey is AQRDICNRXJDESM-BDAKNGLRSA-N. The full InChI is InChI=1S/C10H14O2/c1-6(11)10-7(2)12-9-5-3-4-8(9)10/h8-9H,3-5H2,1-2H3/t8-,9+/m1/s1.
What are the key properties of 1-[(3aS,6aS)-2-methyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[b]furan-3-yl]ethanone?
1-[(3aS,6aS)-2-methyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[b]furan-3-yl]ethanone has a molecular weight of 166.22 g/mol, XLogP of 2.05, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3aS,6aS)-2-methyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[b]furan-3-yl]ethanone is sourced from PubChem (CID 93498835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).