2-oxocyclohepta[b]furan-3-carboxylic acid

C10H6O4 — CID 10261911

IUPAC2-oxocyclohepta[b]furan-3-carboxylic acid
SMILESO=C(O)c1c2cccccc-2oc1=O
InChIInChI=1S/C10H6O4/c11-9(12)8-6-4-2-1-3-5-7(6)14-10(8)13/h1-5H,(H,11,12)
InChIKeyLGKJMCYTZAWEGQ-UHFFFAOYSA-N
MW190.15 g/mol
LogP1.44
Rot. Bonds1

About 2-oxocyclohepta[b]furan-3-carboxylic acid

2-oxocyclohepta[b]furan-3-carboxylic acid (PubChem CID 10261911) has the molecular formula C10H6O4 and a molecular weight of 190.15 g/mol. Its IUPAC name is 2-oxocyclohepta[b]furan-3-carboxylic acid.

Molecular Properties

Compound Name2-oxocyclohepta[b]furan-3-carboxylic acid
PubChem CID10261911
Molecular FormulaC10H6O4
Molecular Weight190.15 g/mol
Exact Mass190.03
IUPAC Name2-oxocyclohepta[b]furan-3-carboxylic acid
SMILESO=C(O)c1c2cccccc-2oc1=O
InChIInChI=1S/C10H6O4/c11-9(12)8-6-4-2-1-3-5-7(6)14-10(8)13/h1-5H,(H,11,12)
InChIKeyLGKJMCYTZAWEGQ-UHFFFAOYSA-N
XLogP1.44
TPSA67.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.15
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(Methoxycarbonyl)-2H-cyclohepta[b]furan-2-one
CID 10081616
4-Hydroxy-7-methyl-2H,5H-pyrano(4,3-b)pyran-2,5-dione
CID 54676319
(5Z)-4-methyl-5-(3-methylbut-2-enylidene)-2-oxofuran-3-carboxylic acid
CID 168279802
Ethyl 2-oxo-2H-cyclohepta[b]furan-3-carboxylate
CID 589812
Dadiixpqssqfmz-uhfffaoysa-
CID 10421521
4-Hydroxy-2H,5H-pyrano[4,3-b]pyran-2,5-dion
CID 129630106
Ethyl 8-acetoxy-1,2-dihydro-2-oxo-1-oxaazulene-3-carboxylate
CID 616446
2-Oxo-5-propan-2-ylcyclohepta[b]furan-3-carboxylic acid
CID 10059805
2-Oxocyclopenta[b]furan-3-carboxylic acid
CID 20484809
3-(Hydroxymethyl)cyclopenta[b]furan-2-one
CID 23338125
4,6-dimethyl-2-oxo-2H-pyran-3-carboxylic acid
CID 24215466
4,5-Dihydroxycyclohepta[c]furan-1,3,6-trione
CID 54737562

Frequently Asked Questions

What is the IUPAC name of 2-oxocyclohepta[b]furan-3-carboxylic acid?
The IUPAC name of 2-oxocyclohepta[b]furan-3-carboxylic acid (CID 10261911) is 2-oxocyclohepta[b]furan-3-carboxylic acid.
What is the SMILES notation for 2-oxocyclohepta[b]furan-3-carboxylic acid?
The canonical SMILES for 2-oxocyclohepta[b]furan-3-carboxylic acid is O=C(O)c1c2cccccc-2oc1=O.
What is the InChIKey of 2-oxocyclohepta[b]furan-3-carboxylic acid?
The InChIKey is LGKJMCYTZAWEGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6O4/c11-9(12)8-6-4-2-1-3-5-7(6)14-10(8)13/h1-5H,(H,11,12).
What are the key properties of 2-oxocyclohepta[b]furan-3-carboxylic acid?
2-oxocyclohepta[b]furan-3-carboxylic acid has a molecular weight of 190.15 g/mol, XLogP of 1.44, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxocyclohepta[b]furan-3-carboxylic acid is sourced from PubChem (CID 10261911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).