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

C10H12O2 — CID 45086292

IUPAC1-[(3aS,6aS)-2-methyl-4,6a-dihydro-3aH-cyclopenta[b]furan-3-yl]ethanone
SMILESCC(=O)C1=C(C)O[C@H]2C=CC[C@@H]12
InChIInChI=1S/C10H12O2/c1-6(11)10-7(2)12-9-5-3-4-8(9)10/h3,5,8-9H,4H2,1-2H3/t8-,9+/m1/s1
InChIKeyAOIJCOMSMAIUDV-BDAKNGLRSA-N
MW164.20 g/mol
LogP1.82
Rot. Bonds1

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

1-[(3aS,6aS)-2-methyl-4,6a-dihydro-3aH-cyclopenta[b]furan-3-yl]ethanone (PubChem CID 45086292) has the molecular formula C10H12O2 and a molecular weight of 164.20 g/mol. Its IUPAC name is 1-[(3aS,6aS)-2-methyl-4,6a-dihydro-3aH-cyclopenta[b]furan-3-yl]ethanone.

Molecular Properties

Compound Name1-[(3aS,6aS)-2-methyl-4,6a-dihydro-3aH-cyclopenta[b]furan-3-yl]ethanone
PubChem CID45086292
Molecular FormulaC10H12O2
Molecular Weight164.20 g/mol
Exact Mass164.08
IUPAC Name1-[(3aS,6aS)-2-methyl-4,6a-dihydro-3aH-cyclopenta[b]furan-3-yl]ethanone
SMILESCC(=O)C1=C(C)O[C@H]2C=CC[C@@H]12
InChIInChI=1S/C10H12O2/c1-6(11)10-7(2)12-9-5-3-4-8(9)10/h3,5,8-9H,4H2,1-2H3/t8-,9+/m1/s1
InChIKeyAOIJCOMSMAIUDV-BDAKNGLRSA-N
XLogP1.82
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.20
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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

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Related Compounds

1-(5-Ethenyl-2-methyl-4,5-dihydrofuran-3-yl)ethan-1-one
CID 12579774
1-(2-Methyl-3a,4,5,7a-tetrahydro-1-benzofuran-3-yl)ethanone
CID 10607414
1,3,3a,4-Tetrahydro-cyclopenta[c]furan-5-one
CID 10887896
(2R,3aR,6aR)-2-ethenyl-2,3,3a,6a-tetrahydrocyclopenta[b]furan-4-one
CID 11389481
1-[(3aS,7aS)-2-methyl-3a,4,5,7a-tetrahydro-1-benzofuran-3-yl]ethanone
CID 12717493
1-Methyl-3a,4-dihydro-1H-cyclopenta[c]furan-5(3H)-one
CID 13332065
2-Methyl-3,4-diacetyl-5-(1-propenyl)-4,5-dihydrofuran
CID 85443641
methyl (3aR,6aR)-2-but-3-enyl-4,6a-dihydro-3aH-cyclopenta[b]furan-3-carboxylate
CID 102157245
methyl (3aS,6aS)-2-butyl-4,6a-dihydro-3aH-cyclopenta[b]furan-3-carboxylate
CID 134900064
methyl (3aS,6aS)-2-but-3-enyl-4,6a-dihydro-3aH-cyclopenta[b]furan-3-carboxylate
CID 134900065
methyl (3aR,6aR)-2-[(3E)-4,8-dimethylnona-3,7-dienyl]-4,6a-dihydro-3aH-cyclopenta[b]furan-3-carboxylate
CID 134972565
methyl (3aR,6aR)-2-tert-butyl-4,6a-dihydro-3aH-cyclopenta[b]furan-3-carboxylate
CID 134972633

Frequently Asked Questions

What is the IUPAC name of 1-[(3aS,6aS)-2-methyl-4,6a-dihydro-3aH-cyclopenta[b]furan-3-yl]ethanone?
The IUPAC name of 1-[(3aS,6aS)-2-methyl-4,6a-dihydro-3aH-cyclopenta[b]furan-3-yl]ethanone (CID 45086292) is 1-[(3aS,6aS)-2-methyl-4,6a-dihydro-3aH-cyclopenta[b]furan-3-yl]ethanone.
What is the SMILES notation for 1-[(3aS,6aS)-2-methyl-4,6a-dihydro-3aH-cyclopenta[b]furan-3-yl]ethanone?
The canonical SMILES for 1-[(3aS,6aS)-2-methyl-4,6a-dihydro-3aH-cyclopenta[b]furan-3-yl]ethanone is CC(=O)C1=C(C)O[C@H]2C=CC[C@@H]12.
What is the InChIKey of 1-[(3aS,6aS)-2-methyl-4,6a-dihydro-3aH-cyclopenta[b]furan-3-yl]ethanone?
The InChIKey is AOIJCOMSMAIUDV-BDAKNGLRSA-N. The full InChI is InChI=1S/C10H12O2/c1-6(11)10-7(2)12-9-5-3-4-8(9)10/h3,5,8-9H,4H2,1-2H3/t8-,9+/m1/s1.
What are the key properties of 1-[(3aS,6aS)-2-methyl-4,6a-dihydro-3aH-cyclopenta[b]furan-3-yl]ethanone?
1-[(3aS,6aS)-2-methyl-4,6a-dihydro-3aH-cyclopenta[b]furan-3-yl]ethanone has a molecular weight of 164.20 g/mol, XLogP of 1.82, 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-4,6a-dihydro-3aH-cyclopenta[b]furan-3-yl]ethanone is sourced from PubChem (CID 45086292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).