4-(cycloheptanecarbonyl)furan-2-carboxylic acid

C13H16O4 — CID 84727277

IUPAC4-(cycloheptanecarbonyl)furan-2-carboxylic acid
SMILESO=C(O)c1cc(C(=O)C2CCCCCC2)co1
InChIInChI=1S/C13H16O4/c14-12(9-5-3-1-2-4-6-9)10-7-11(13(15)16)17-8-10/h7-9H,1-6H2,(H,15,16)
InChIKeyNWDMIKNHYCCRSO-UHFFFAOYSA-N
MW236.27 g/mol
LogP3.13
Rot. Bonds3

About 4-(cycloheptanecarbonyl)furan-2-carboxylic acid

4-(cycloheptanecarbonyl)furan-2-carboxylic acid (PubChem CID 84727277) has the molecular formula C13H16O4 and a molecular weight of 236.27 g/mol. Its IUPAC name is 4-(cycloheptanecarbonyl)furan-2-carboxylic acid.

Molecular Properties

Compound Name4-(cycloheptanecarbonyl)furan-2-carboxylic acid
PubChem CID84727277
Molecular FormulaC13H16O4
Molecular Weight236.27 g/mol
Exact Mass236.10
IUPAC Name4-(cycloheptanecarbonyl)furan-2-carboxylic acid
SMILESO=C(O)c1cc(C(=O)C2CCCCCC2)co1
InChIInChI=1S/C13H16O4/c14-12(9-5-3-1-2-4-6-9)10-7-11(13(15)16)17-8-10/h7-9H,1-6H2,(H,15,16)
InChIKeyNWDMIKNHYCCRSO-UHFFFAOYSA-N
XLogP3.13
TPSA67.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-(cycloheptanecarbonyl)furan-2-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(cyclopentanecarbonyl)furan-2-carbaldehyde
CID 84719861
5-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl)furan-3-carboxylic acid
CID 104607794
4-(cyclooctanecarbonyl)-1-methylpyrrole-2-carboxylic acid
CID 65018296
5-[[1-(cyclohexanecarbonyl)pyrrolidin-3-yl]carbamoyl]furan-3-carboxylic acid
CID 120550990
cyclohexyl-(3,5-difluorophenyl)methanone
CID 24724213
cyclohexyl(phenyl)methanone;molecular hydrogen
CID 143135360
1-benzofuran-5-yl(cyclohexyl)methanone
CID 155672493
4-(cyclopentanecarbonyl)-1H-pyrrole-2-carboxylic acid
CID 43162012
cyclopentyl-(3,5-dibromophenyl)methanone
CID 107976355
5-(3-oxo-2,4,4a,5,6,7,8,8a-octahydroquinoxaline-1-carbonyl)furan-3-carboxylic acid
CID 120549731
5-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazine-4-carbonyl)furan-3-carboxylic acid
CID 113432299
(5-bromothiophen-3-yl)-cyclohexylmethanone
CID 105076809

Frequently Asked Questions

What is the IUPAC name of 4-(cycloheptanecarbonyl)furan-2-carboxylic acid?
The IUPAC name of 4-(cycloheptanecarbonyl)furan-2-carboxylic acid (CID 84727277) is 4-(cycloheptanecarbonyl)furan-2-carboxylic acid.
What is the SMILES notation for 4-(cycloheptanecarbonyl)furan-2-carboxylic acid?
The canonical SMILES for 4-(cycloheptanecarbonyl)furan-2-carboxylic acid is O=C(O)c1cc(C(=O)C2CCCCCC2)co1.
What is the InChIKey of 4-(cycloheptanecarbonyl)furan-2-carboxylic acid?
The InChIKey is NWDMIKNHYCCRSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16O4/c14-12(9-5-3-1-2-4-6-9)10-7-11(13(15)16)17-8-10/h7-9H,1-6H2,(H,15,16).
What are the key properties of 4-(cycloheptanecarbonyl)furan-2-carboxylic acid?
4-(cycloheptanecarbonyl)furan-2-carboxylic acid has a molecular weight of 236.27 g/mol, XLogP of 3.13, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cycloheptanecarbonyl)furan-2-carboxylic acid is sourced from PubChem (CID 84727277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).