5-(cyclopent-3-en-1-ylcarbamoyl)furan-3-carboxylic acid

C11H11NO4 — CID 104623373

IUPAC5-(cyclopent-3-en-1-ylcarbamoyl)furan-3-carboxylic acid
SMILESO=C(O)c1coc(C(=O)NC2CC=CC2)c1
InChIInChI=1S/C11H11NO4/c13-10(12-8-3-1-2-4-8)9-5-7(6-16-9)11(14)15/h1-2,5-6,8H,3-4H2,(H,12,13)(H,14,15)
InChIKeyKSYOOQUQEILNOI-UHFFFAOYSA-N
MW221.21 g/mol
LogP1.43
Rot. Bonds3

About 5-(cyclopent-3-en-1-ylcarbamoyl)furan-3-carboxylic acid

5-(cyclopent-3-en-1-ylcarbamoyl)furan-3-carboxylic acid (PubChem CID 104623373) has the molecular formula C11H11NO4 and a molecular weight of 221.21 g/mol. Its IUPAC name is 5-(cyclopent-3-en-1-ylcarbamoyl)furan-3-carboxylic acid.

Molecular Properties

Compound Name5-(cyclopent-3-en-1-ylcarbamoyl)furan-3-carboxylic acid
PubChem CID104623373
Molecular FormulaC11H11NO4
Molecular Weight221.21 g/mol
Exact Mass221.07
IUPAC Name5-(cyclopent-3-en-1-ylcarbamoyl)furan-3-carboxylic acid
SMILESO=C(O)c1coc(C(=O)NC2CC=CC2)c1
InChIInChI=1S/C11H11NO4/c13-10(12-8-3-1-2-4-8)9-5-7(6-16-9)11(14)15/h1-2,5-6,8H,3-4H2,(H,12,13)(H,14,15)
InChIKeyKSYOOQUQEILNOI-UHFFFAOYSA-N
XLogP1.43
TPSA79.54 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.21
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

5-(cyclooctylcarbamoyl)furan-3-carboxylic acid
CID 104607014
5-[(2-methylcyclopropyl)carbamoyl]furan-3-carboxylic acid
CID 104607507
5-[[3-(cyclopropylamino)-3-oxopropyl]carbamoyl]furan-3-carboxylic acid
CID 113432372
5-[(2,3-dimethylcyclopentyl)carbamoyl]furan-3-carboxylic acid
CID 104607667
5-[[1-(cyclohexanecarbonyl)pyrrolidin-3-yl]carbamoyl]furan-3-carboxylic acid
CID 120550990
5-[(1-methyl-2,5-dioxopyrrolidin-3-yl)carbamoyl]furan-3-carboxylic acid
CID 104607694
5-(2-acetamidoethylcarbamoyl)furan-3-carboxylic acid
CID 104607173
5-acetylfuran-3-carboxylic acid
CID 10654434
5-[[2-(cyclopropylamino)-2-oxoethyl]-methylcarbamoyl]furan-3-carboxylic acid
CID 104607397
5-[2-(cyclopropylmethoxy)ethylcarbamoyl]furan-3-carboxylic acid
CID 113434091
5-[[1-(4-methylphenyl)-2-oxopyrrolidin-3-yl]carbamoyl]furan-3-carboxylic acid
CID 126786075
5-(2,2-dimethylpropylcarbamoyl)furan-3-carboxylic acid
CID 104607222

Frequently Asked Questions

What is the IUPAC name of 5-(cyclopent-3-en-1-ylcarbamoyl)furan-3-carboxylic acid?
The IUPAC name of 5-(cyclopent-3-en-1-ylcarbamoyl)furan-3-carboxylic acid (CID 104623373) is 5-(cyclopent-3-en-1-ylcarbamoyl)furan-3-carboxylic acid.
What is the SMILES notation for 5-(cyclopent-3-en-1-ylcarbamoyl)furan-3-carboxylic acid?
The canonical SMILES for 5-(cyclopent-3-en-1-ylcarbamoyl)furan-3-carboxylic acid is O=C(O)c1coc(C(=O)NC2CC=CC2)c1.
What is the InChIKey of 5-(cyclopent-3-en-1-ylcarbamoyl)furan-3-carboxylic acid?
The InChIKey is KSYOOQUQEILNOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO4/c13-10(12-8-3-1-2-4-8)9-5-7(6-16-9)11(14)15/h1-2,5-6,8H,3-4H2,(H,12,13)(H,14,15).
What are the key properties of 5-(cyclopent-3-en-1-ylcarbamoyl)furan-3-carboxylic acid?
5-(cyclopent-3-en-1-ylcarbamoyl)furan-3-carboxylic acid has a molecular weight of 221.21 g/mol, XLogP of 1.43, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(cyclopent-3-en-1-ylcarbamoyl)furan-3-carboxylic acid is sourced from PubChem (CID 104623373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).