5-thiophen-2-yl-1H-pyrrole-2-carbaldehyde

C9H7NOS — CID 1201026

IUPAC5-thiophen-2-yl-1H-pyrrole-2-carbaldehyde
SMILESO=Cc1ccc(-c2cccs2)[nH]1
InChIInChI=1S/C9H7NOS/c11-6-7-3-4-8(10-7)9-2-1-5-12-9/h1-6,10H
InChIKeyKXJJSRMUFORMAT-UHFFFAOYSA-N
MW177.23 g/mol
LogP2.56
Rot. Bonds2

About 5-thiophen-2-yl-1H-pyrrole-2-carbaldehyde

5-thiophen-2-yl-1H-pyrrole-2-carbaldehyde (PubChem CID 1201026) has the molecular formula C9H7NOS and a molecular weight of 177.23 g/mol. Its IUPAC name is 5-thiophen-2-yl-1H-pyrrole-2-carbaldehyde.

Molecular Properties

Compound Name5-thiophen-2-yl-1H-pyrrole-2-carbaldehyde
PubChem CID1201026
Molecular FormulaC9H7NOS
Molecular Weight177.23 g/mol
Exact Mass177.02
IUPAC Name5-thiophen-2-yl-1H-pyrrole-2-carbaldehyde
SMILESO=Cc1ccc(-c2cccs2)[nH]1
InChIInChI=1S/C9H7NOS/c11-6-7-3-4-8(10-7)9-2-1-5-12-9/h1-6,10H
InChIKeyKXJJSRMUFORMAT-UHFFFAOYSA-N
XLogP2.56
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.23
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

6-(Thiophen-2-yl)pyridine-2-carbaldehyde
CID 10583807
5,5'-Methylenebis(1H-pyrrole-2-carbaldehyde)
CID 4175118
6-(3-Thienyl)pyridine-2-carboxaldehyde
CID 16217889
5-[5-(5-formyl-4-propyl-1H-pyrrol-2-yl)-2-thienyl]-3-propyl-1H-pyrrole-2-carbaldehyde
CID 374810
2,2,2-Trifluoro-1-(5-(2-thienyl)pyrrol-2-yl)ethan-1-one
CID 3127251
1-(4H-thieno[3,2-b]pyrrol-5-yl)ethanone
CID 713791
1H-Pyrrole-2-carboxaldehyde, 4-(2-thienyl)-
CID 12080141
1-Propyl-5-thiophen-2-ylpyrrole-2-carbaldehyde
CID 102176812
4H-Thieno[3,2-b]pyrrole-5-carboxamide
CID 18524389
2-(Thiophene-2-carbonyl)pyrrole
CID 19914029
3-Formyl-2,5-dithienylpyrrole
CID 19940143
5-(1H-pyrrol-2-yl)thiophene-2-carbaldehyde
CID 138974427

Frequently Asked Questions

What is the IUPAC name of 5-thiophen-2-yl-1H-pyrrole-2-carbaldehyde?
The IUPAC name of 5-thiophen-2-yl-1H-pyrrole-2-carbaldehyde (CID 1201026) is 5-thiophen-2-yl-1H-pyrrole-2-carbaldehyde.
What is the SMILES notation for 5-thiophen-2-yl-1H-pyrrole-2-carbaldehyde?
The canonical SMILES for 5-thiophen-2-yl-1H-pyrrole-2-carbaldehyde is O=Cc1ccc(-c2cccs2)[nH]1.
What is the InChIKey of 5-thiophen-2-yl-1H-pyrrole-2-carbaldehyde?
The InChIKey is KXJJSRMUFORMAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7NOS/c11-6-7-3-4-8(10-7)9-2-1-5-12-9/h1-6,10H.
What are the key properties of 5-thiophen-2-yl-1H-pyrrole-2-carbaldehyde?
5-thiophen-2-yl-1H-pyrrole-2-carbaldehyde has a molecular weight of 177.23 g/mol, XLogP of 2.56, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-thiophen-2-yl-1H-pyrrole-2-carbaldehyde is sourced from PubChem (CID 1201026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).