3-(2-formylpyrrol-1-yl)thiophene-2-carboxamide

C10H8N2O2S — CID 10632712

IUPAC3-(2-formylpyrrol-1-yl)thiophene-2-carboxamide
SMILESNC(=O)c1sccc1-n1cccc1C=O
InChIInChI=1S/C10H8N2O2S/c11-10(14)9-8(3-5-15-9)12-4-1-2-7(12)6-13/h1-6H,(H2,11,14)
InChIKeyHYWMRNCODKQRNB-UHFFFAOYSA-N
MW220.25 g/mol
LogP1.45
Rot. Bonds3

About 3-(2-formylpyrrol-1-yl)thiophene-2-carboxamide

3-(2-formylpyrrol-1-yl)thiophene-2-carboxamide (PubChem CID 10632712) has the molecular formula C10H8N2O2S and a molecular weight of 220.25 g/mol. Its IUPAC name is 3-(2-formylpyrrol-1-yl)thiophene-2-carboxamide.

Molecular Properties

Compound Name3-(2-formylpyrrol-1-yl)thiophene-2-carboxamide
PubChem CID10632712
Molecular FormulaC10H8N2O2S
Molecular Weight220.25 g/mol
Exact Mass220.03
IUPAC Name3-(2-formylpyrrol-1-yl)thiophene-2-carboxamide
SMILESNC(=O)c1sccc1-n1cccc1C=O
InChIInChI=1S/C10H8N2O2S/c11-10(14)9-8(3-5-15-9)12-4-1-2-7(12)6-13/h1-6H,(H2,11,14)
InChIKeyHYWMRNCODKQRNB-UHFFFAOYSA-N
XLogP1.45
TPSA65.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.25
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(2-formylpyrrol-1-yl)thiophene-2-carboxamide?
The IUPAC name of 3-(2-formylpyrrol-1-yl)thiophene-2-carboxamide (CID 10632712) is 3-(2-formylpyrrol-1-yl)thiophene-2-carboxamide.
What is the SMILES notation for 3-(2-formylpyrrol-1-yl)thiophene-2-carboxamide?
The canonical SMILES for 3-(2-formylpyrrol-1-yl)thiophene-2-carboxamide is NC(=O)c1sccc1-n1cccc1C=O.
What is the InChIKey of 3-(2-formylpyrrol-1-yl)thiophene-2-carboxamide?
The InChIKey is HYWMRNCODKQRNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N2O2S/c11-10(14)9-8(3-5-15-9)12-4-1-2-7(12)6-13/h1-6H,(H2,11,14).
What are the key properties of 3-(2-formylpyrrol-1-yl)thiophene-2-carboxamide?
3-(2-formylpyrrol-1-yl)thiophene-2-carboxamide has a molecular weight of 220.25 g/mol, XLogP of 1.45, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-formylpyrrol-1-yl)thiophene-2-carboxamide is sourced from PubChem (CID 10632712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).