6-(furan-2-carbonyl)spiro[2.4]heptan-7-one

C12H12O3 — CID 165474394

IUPAC6-(furan-2-carbonyl)spiro[2.4]heptan-7-one
SMILESO=C(c1ccco1)C1CCC2(CC2)C1=O
InChIInChI=1S/C12H12O3/c13-10(9-2-1-7-15-9)8-3-4-12(5-6-12)11(8)14/h1-2,7-8H,3-6H2
InChIKeyOYNUJJRERHUEMI-UHFFFAOYSA-N
MW204.22 g/mol
LogP2.22
Rot. Bonds2

About 6-(furan-2-carbonyl)spiro[2.4]heptan-7-one

6-(furan-2-carbonyl)spiro[2.4]heptan-7-one (PubChem CID 165474394) has the molecular formula C12H12O3 and a molecular weight of 204.22 g/mol. Its IUPAC name is 6-(furan-2-carbonyl)spiro[2.4]heptan-7-one.

Molecular Properties

Compound Name6-(furan-2-carbonyl)spiro[2.4]heptan-7-one
PubChem CID165474394
Molecular FormulaC12H12O3
Molecular Weight204.22 g/mol
Exact Mass204.08
IUPAC Name6-(furan-2-carbonyl)spiro[2.4]heptan-7-one
SMILESO=C(c1ccco1)C1CCC2(CC2)C1=O
InChIInChI=1S/C12H12O3/c13-10(9-2-1-7-15-9)8-3-4-12(5-6-12)11(8)14/h1-2,7-8H,3-6H2
InChIKeyOYNUJJRERHUEMI-UHFFFAOYSA-N
XLogP2.22
TPSA47.28 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.22
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

(2,2-dimethylcyclohexyl)-(furan-2-yl)methanone
CID 107176485
2,3-dihydro-1H-inden-2-yl(furan-2-yl)methanone
CID 65408377
1,9-dioxaspiro[5.5]undecan-4-yl(furan-2-yl)methanone
CID 79921773
furan-2-yl-[2-(trifluoromethyl)cyclohexyl]methanone
CID 105099254
(3,4-dimethylcyclohexyl)-(furan-2-yl)methanone
CID 64738417
furan-2-yl-[2-(trifluoromethyl)cyclopropyl]methanone
CID 122389475
1,4-bis(furan-2-yl)-2,3-dihydroxybutane-1,4-dione
CID 121014452
furan-2-yl(1,2,3,4-tetrahydropyridin-2-yl)methanone
CID 141122677
N-cyclooctylfuran-2-carboxamide
CID 790432
(1'R,2'S,4S)-2'-(furan-2-carbonyl)-1'-(furan-2-yl)-1'-hydroxyspiro[1,3-dihydro-1-benzazepine-4,4'-cyclohexane]-2,5-dione
CID 15306955
(3S)-3-(furan-2-carbonyl)-1,3-dihydroindol-2-one
CID 98176128
[(2R)-5,5-dimethyloxolan-2-yl]methyl furan-2-carboxylate
CID 99795689

Frequently Asked Questions

What is the IUPAC name of 6-(furan-2-carbonyl)spiro[2.4]heptan-7-one?
The IUPAC name of 6-(furan-2-carbonyl)spiro[2.4]heptan-7-one (CID 165474394) is 6-(furan-2-carbonyl)spiro[2.4]heptan-7-one.
What is the SMILES notation for 6-(furan-2-carbonyl)spiro[2.4]heptan-7-one?
The canonical SMILES for 6-(furan-2-carbonyl)spiro[2.4]heptan-7-one is O=C(c1ccco1)C1CCC2(CC2)C1=O.
What is the InChIKey of 6-(furan-2-carbonyl)spiro[2.4]heptan-7-one?
The InChIKey is OYNUJJRERHUEMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12O3/c13-10(9-2-1-7-15-9)8-3-4-12(5-6-12)11(8)14/h1-2,7-8H,3-6H2.
What are the key properties of 6-(furan-2-carbonyl)spiro[2.4]heptan-7-one?
6-(furan-2-carbonyl)spiro[2.4]heptan-7-one has a molecular weight of 204.22 g/mol, XLogP of 2.22, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(furan-2-carbonyl)spiro[2.4]heptan-7-one is sourced from PubChem (CID 165474394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).