azuleno[8,7-b]furan-2,9-dione

C12H6O3 — CID 91617324

IUPACazuleno[8,7-b]furan-2,9-dione
SMILESO=C1C=Cc2cccc3cc(=O)oc-3c21
InChIInChI=1S/C12H6O3/c13-9-5-4-7-2-1-3-8-6-10(14)15-12(8)11(7)9/h1-6H
InChIKeyRFPVBMLXNYQWES-UHFFFAOYSA-N
MW198.18 g/mol
LogP1.95
Rot. Bonds

About azuleno[8,7-b]furan-2,9-dione

azuleno[8,7-b]furan-2,9-dione (PubChem CID 91617324) has the molecular formula C12H6O3 and a molecular weight of 198.18 g/mol. Its IUPAC name is azuleno[8,7-b]furan-2,9-dione.

Molecular Properties

Compound Nameazuleno[8,7-b]furan-2,9-dione
PubChem CID91617324
Molecular FormulaC12H6O3
Molecular Weight198.18 g/mol
Exact Mass198.03
IUPAC Nameazuleno[8,7-b]furan-2,9-dione
SMILESO=C1C=Cc2cccc3cc(=O)oc-3c21
InChIInChI=1S/C12H6O3/c13-9-5-4-7-2-1-3-8-6-10(14)15-12(8)11(7)9/h1-6H
InChIKeyRFPVBMLXNYQWES-UHFFFAOYSA-N
XLogP1.95
TPSA47.28 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.18
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

8-fluorocyclohepta[b]furan-2-one
CID 86188455
cyclopenta[a]azulen-3-one;ethane
CID 158513758
5-bromo-4-methyl-6-phenylpyran-2-one
CID 121010886
1-hydroxy-2-phenylbenzo[cd]indol-3-one
CID 122227341
7-trimethylsilylfuro[2,3-c]pyran-2-one
CID 24879420
3,4-bis(3-chlorophenyl)-7-methylazuleno[2,1-c]pyran-1-one
CID 156903205
N-(3-oxoinden-4-yl)benzamide
CID 67095227
5-[3-(2,2-dihydroxy-1,3-dioxoinden-5-yl)phenyl]-2,2-dihydroxyindene-1,3-dione
CID 59435063
7-hydroxy-7-methyl-2-(3-methylphenyl)-1-benzofuran-4-one
CID 154710794
4-methylchromene-2,7,8-trione
CID 15647394
4-phenyl-6-propan-2-ylpyran-2-one
CID 164685505
7-hydroxy-7-methyl-2-phenyl-1-benzofuran-4-one
CID 154710624

Frequently Asked Questions

What is the IUPAC name of azuleno[8,7-b]furan-2,9-dione?
The IUPAC name of azuleno[8,7-b]furan-2,9-dione (CID 91617324) is azuleno[8,7-b]furan-2,9-dione.
What is the SMILES notation for azuleno[8,7-b]furan-2,9-dione?
The canonical SMILES for azuleno[8,7-b]furan-2,9-dione is O=C1C=Cc2cccc3cc(=O)oc-3c21.
What is the InChIKey of azuleno[8,7-b]furan-2,9-dione?
The InChIKey is RFPVBMLXNYQWES-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6O3/c13-9-5-4-7-2-1-3-8-6-10(14)15-12(8)11(7)9/h1-6H.
What are the key properties of azuleno[8,7-b]furan-2,9-dione?
azuleno[8,7-b]furan-2,9-dione has a molecular weight of 198.18 g/mol, XLogP of 1.95, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for azuleno[8,7-b]furan-2,9-dione is sourced from PubChem (CID 91617324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).