6,7,8,9-tetrahydro-4H-azuleno[6,7-c]furan-5-one

C12H12O2 — CID 10655212

IUPAC6,7,8,9-tetrahydro-4H-azuleno[6,7-c]furan-5-one
SMILESO=C1Cc2cocc2CC2=C1CCC2
InChIInChI=1S/C12H12O2/c13-12-5-10-7-14-6-9(10)4-8-2-1-3-11(8)12/h6-7H,1-5H2
InChIKeyKABMNODFNXJNNE-UHFFFAOYSA-N
MW188.23 g/mol
LogP2.43
Rot. Bonds

About 6,7,8,9-tetrahydro-4H-azuleno[6,7-c]furan-5-one

6,7,8,9-tetrahydro-4H-azuleno[6,7-c]furan-5-one (PubChem CID 10655212) has the molecular formula C12H12O2 and a molecular weight of 188.23 g/mol. Its IUPAC name is 6,7,8,9-tetrahydro-4H-azuleno[6,7-c]furan-5-one.

Molecular Properties

Compound Name6,7,8,9-tetrahydro-4H-azuleno[6,7-c]furan-5-one
PubChem CID10655212
Molecular FormulaC12H12O2
Molecular Weight188.23 g/mol
Exact Mass188.08
IUPAC Name6,7,8,9-tetrahydro-4H-azuleno[6,7-c]furan-5-one
SMILESO=C1Cc2cocc2CC2=C1CCC2
InChIInChI=1S/C12H12O2/c13-12-5-10-7-14-6-9(10)4-8-2-1-3-11(8)12/h6-7H,1-5H2
InChIKeyKABMNODFNXJNNE-UHFFFAOYSA-N
XLogP2.43
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.23
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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2,5,6,7,8,9-hexahydrofluoren-1-one
CID 141319272
9-hydroxy-7-methyl-1,2,3,5-tetrahydrocyclopenta[a]naphthalen-4-one
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manganese;2,3,4,5,6,7,8,9-octahydro-1H-fluorene
CID 174386744
6,7,8,9,10,11,12,13,14,15-decahydro-5H-cyclododeca[a]indene
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methanol;2,3,4,9-tetrahydro-1H-fluorene
CID 172707139
3,4,5,6,7,8-hexahydronaphthalene-1,2-dione
CID 22709046
spiro[6,7-dihydro-2-benzofuran-5,1'-cyclopentane]-4-one
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3-methyl-6,7,8,9,10,11-hexahydro-5H-cycloocta[a]indene
CID 53360534
9,10-didehydro-1,2,4,5,6,7,8,11,12,13,14,15-dodecahydrocyclopenta[14]annulen-3-one
CID 102053029
(14S)-14-methylbicyclo[9.4.0]pentadec-1(11)-en-12-one
CID 11160668

Frequently Asked Questions

What is the IUPAC name of 6,7,8,9-tetrahydro-4H-azuleno[6,7-c]furan-5-one?
The IUPAC name of 6,7,8,9-tetrahydro-4H-azuleno[6,7-c]furan-5-one (CID 10655212) is 6,7,8,9-tetrahydro-4H-azuleno[6,7-c]furan-5-one.
What is the SMILES notation for 6,7,8,9-tetrahydro-4H-azuleno[6,7-c]furan-5-one?
The canonical SMILES for 6,7,8,9-tetrahydro-4H-azuleno[6,7-c]furan-5-one is O=C1Cc2cocc2CC2=C1CCC2.
What is the InChIKey of 6,7,8,9-tetrahydro-4H-azuleno[6,7-c]furan-5-one?
The InChIKey is KABMNODFNXJNNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12O2/c13-12-5-10-7-14-6-9(10)4-8-2-1-3-11(8)12/h6-7H,1-5H2.
What are the key properties of 6,7,8,9-tetrahydro-4H-azuleno[6,7-c]furan-5-one?
6,7,8,9-tetrahydro-4H-azuleno[6,7-c]furan-5-one has a molecular weight of 188.23 g/mol, XLogP of 2.43, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7,8,9-tetrahydro-4H-azuleno[6,7-c]furan-5-one is sourced from PubChem (CID 10655212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).