5-(1H-pyrrol-2-yl)thiophene-2-carbaldehyde

C9H7NOS — CID 138974427

IUPAC5-(1H-pyrrol-2-yl)thiophene-2-carbaldehyde
SMILESO=Cc1ccc(-c2ccc[nH]2)s1
InChIInChI=1S/C9H7NOS/c11-6-7-3-4-9(12-7)8-2-1-5-10-8/h1-6,10H
InChIKeyCFKXUJNCGZHMEY-UHFFFAOYSA-N
MW177.23 g/mol
LogP2.56
Rot. Bonds2

About 5-(1H-pyrrol-2-yl)thiophene-2-carbaldehyde

5-(1H-pyrrol-2-yl)thiophene-2-carbaldehyde (PubChem CID 138974427) has the molecular formula C9H7NOS and a molecular weight of 177.23 g/mol. Its IUPAC name is 5-(1H-pyrrol-2-yl)thiophene-2-carbaldehyde.

Molecular Properties

Compound Name5-(1H-pyrrol-2-yl)thiophene-2-carbaldehyde
PubChem CID138974427
Molecular FormulaC9H7NOS
Molecular Weight177.23 g/mol
Exact Mass177.02
IUPAC Name5-(1H-pyrrol-2-yl)thiophene-2-carbaldehyde
SMILESO=Cc1ccc(-c2ccc[nH]2)s1
InChIInChI=1S/C9H7NOS/c11-6-7-3-4-9(12-7)8-2-1-5-10-8/h1-6,10H
InChIKeyCFKXUJNCGZHMEY-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

5-(2-Pyridyl)thiophene-2-carboxamide
CID 2778719
5-(thiophen-2-yl)-1H-pyrrole-2-carbaldehyde
CID 1201026
Thiophene, 2-(2-pyrrolyl)-
CID 142950
1-[(thiophen-2-yl)methyl]-1H-pyrrole-2-carbaldehyde
CID 11137952
N'-(1H-pyrrol-2-ylmethylene)-2-thiophenecarbohydrazide
CID 135591376
5-(Pyridin-2-yl)thiophene-2-carbaldehyde
CID 605127
3-Propyl-5-(5-(4-propyl-1H-pyrrol-2-yl)-2-thienyl)-1H-pyrrole-2-carbaldehyde
CID 374811
(2z)-3-(1h-Pyrrol-2-yl)-1-(2-thienyl)-3-phenyl-prop-2-en-1-one
CID 12077617
1H-Pyrrole-2-carboxaldehyde, 4-(2-thienyl)-
CID 12080141
1-[5-(1-Methylpyrrol-2-yl)thiophen-2-yl]ethanone
CID 134861828
2-(Thiophene-2-carbonyl)pyrrole
CID 19914029
Thienopyrrole carboxamide
CID 68571544

Frequently Asked Questions

What is the IUPAC name of 5-(1H-pyrrol-2-yl)thiophene-2-carbaldehyde?
The IUPAC name of 5-(1H-pyrrol-2-yl)thiophene-2-carbaldehyde (CID 138974427) is 5-(1H-pyrrol-2-yl)thiophene-2-carbaldehyde.
What is the SMILES notation for 5-(1H-pyrrol-2-yl)thiophene-2-carbaldehyde?
The canonical SMILES for 5-(1H-pyrrol-2-yl)thiophene-2-carbaldehyde is O=Cc1ccc(-c2ccc[nH]2)s1.
What is the InChIKey of 5-(1H-pyrrol-2-yl)thiophene-2-carbaldehyde?
The InChIKey is CFKXUJNCGZHMEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7NOS/c11-6-7-3-4-9(12-7)8-2-1-5-10-8/h1-6,10H.
What are the key properties of 5-(1H-pyrrol-2-yl)thiophene-2-carbaldehyde?
5-(1H-pyrrol-2-yl)thiophene-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-(1H-pyrrol-2-yl)thiophene-2-carbaldehyde is sourced from PubChem (CID 138974427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).