5-(cyclopent-3-ene-1-carbonylamino)thiophene-2-carboxylic acid

C11H11NO3S — CID 64767352

IUPAC5-(cyclopent-3-ene-1-carbonylamino)thiophene-2-carboxylic acid
SMILESO=C(O)c1ccc(NC(=O)C2CC=CC2)s1
InChIInChI=1S/C11H11NO3S/c13-10(7-3-1-2-4-7)12-9-6-5-8(16-9)11(14)15/h1-2,5-7H,3-4H2,(H,12,13)(H,14,15)
InChIKeyMBLQIEHBXVPVRL-UHFFFAOYSA-N
MW237.28 g/mol
LogP2.35
Rot. Bonds3

About 5-(cyclopent-3-ene-1-carbonylamino)thiophene-2-carboxylic acid

5-(cyclopent-3-ene-1-carbonylamino)thiophene-2-carboxylic acid (PubChem CID 64767352) has the molecular formula C11H11NO3S and a molecular weight of 237.28 g/mol. Its IUPAC name is 5-(cyclopent-3-ene-1-carbonylamino)thiophene-2-carboxylic acid.

Molecular Properties

Compound Name5-(cyclopent-3-ene-1-carbonylamino)thiophene-2-carboxylic acid
PubChem CID64767352
Molecular FormulaC11H11NO3S
Molecular Weight237.28 g/mol
Exact Mass237.05
IUPAC Name5-(cyclopent-3-ene-1-carbonylamino)thiophene-2-carboxylic acid
SMILESO=C(O)c1ccc(NC(=O)C2CC=CC2)s1
InChIInChI=1S/C11H11NO3S/c13-10(7-3-1-2-4-7)12-9-6-5-8(16-9)11(14)15/h1-2,5-7H,3-4H2,(H,12,13)(H,14,15)
InChIKeyMBLQIEHBXVPVRL-UHFFFAOYSA-N
XLogP2.35
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.28
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(cyclopent-3-ene-1-carbonylamino)thiophene-2-carboxylic acid?
The IUPAC name of 5-(cyclopent-3-ene-1-carbonylamino)thiophene-2-carboxylic acid (CID 64767352) is 5-(cyclopent-3-ene-1-carbonylamino)thiophene-2-carboxylic acid.
What is the SMILES notation for 5-(cyclopent-3-ene-1-carbonylamino)thiophene-2-carboxylic acid?
The canonical SMILES for 5-(cyclopent-3-ene-1-carbonylamino)thiophene-2-carboxylic acid is O=C(O)c1ccc(NC(=O)C2CC=CC2)s1.
What is the InChIKey of 5-(cyclopent-3-ene-1-carbonylamino)thiophene-2-carboxylic acid?
The InChIKey is MBLQIEHBXVPVRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO3S/c13-10(7-3-1-2-4-7)12-9-6-5-8(16-9)11(14)15/h1-2,5-7H,3-4H2,(H,12,13)(H,14,15).
What are the key properties of 5-(cyclopent-3-ene-1-carbonylamino)thiophene-2-carboxylic acid?
5-(cyclopent-3-ene-1-carbonylamino)thiophene-2-carboxylic acid has a molecular weight of 237.28 g/mol, XLogP of 2.35, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(cyclopent-3-ene-1-carbonylamino)thiophene-2-carboxylic acid is sourced from PubChem (CID 64767352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).