5-(5-aminothiophen-2-yl)-1H-pyrrole-2-carbaldehyde

C9H8N2OS — CID 102142272

IUPAC5-(5-aminothiophen-2-yl)-1H-pyrrole-2-carbaldehyde
SMILESNc1ccc(-c2ccc(C=O)[nH]2)s1
InChIInChI=1S/C9H8N2OS/c10-9-4-3-8(13-9)7-2-1-6(5-12)11-7/h1-5,11H,10H2
InChIKeyRNKJVPKELRCLKA-UHFFFAOYSA-N
MW192.24 g/mol
LogP2.14
Rot. Bonds2

About 5-(5-aminothiophen-2-yl)-1H-pyrrole-2-carbaldehyde

5-(5-aminothiophen-2-yl)-1H-pyrrole-2-carbaldehyde (PubChem CID 102142272) has the molecular formula C9H8N2OS and a molecular weight of 192.24 g/mol. Its IUPAC name is 5-(5-aminothiophen-2-yl)-1H-pyrrole-2-carbaldehyde.

Molecular Properties

Compound Name5-(5-aminothiophen-2-yl)-1H-pyrrole-2-carbaldehyde
PubChem CID102142272
Molecular FormulaC9H8N2OS
Molecular Weight192.24 g/mol
Exact Mass192.04
IUPAC Name5-(5-aminothiophen-2-yl)-1H-pyrrole-2-carbaldehyde
SMILESNc1ccc(-c2ccc(C=O)[nH]2)s1
InChIInChI=1S/C9H8N2OS/c10-9-4-3-8(13-9)7-2-1-6(5-12)11-7/h1-5,11H,10H2
InChIKeyRNKJVPKELRCLKA-UHFFFAOYSA-N
XLogP2.14
TPSA58.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.24
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(5-aminothiophen-2-yl)-1H-pyrrole-2-carbaldehyde?
The IUPAC name of 5-(5-aminothiophen-2-yl)-1H-pyrrole-2-carbaldehyde (CID 102142272) is 5-(5-aminothiophen-2-yl)-1H-pyrrole-2-carbaldehyde.
What is the SMILES notation for 5-(5-aminothiophen-2-yl)-1H-pyrrole-2-carbaldehyde?
The canonical SMILES for 5-(5-aminothiophen-2-yl)-1H-pyrrole-2-carbaldehyde is Nc1ccc(-c2ccc(C=O)[nH]2)s1.
What is the InChIKey of 5-(5-aminothiophen-2-yl)-1H-pyrrole-2-carbaldehyde?
The InChIKey is RNKJVPKELRCLKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2OS/c10-9-4-3-8(13-9)7-2-1-6(5-12)11-7/h1-5,11H,10H2.
What are the key properties of 5-(5-aminothiophen-2-yl)-1H-pyrrole-2-carbaldehyde?
5-(5-aminothiophen-2-yl)-1H-pyrrole-2-carbaldehyde has a molecular weight of 192.24 g/mol, XLogP of 2.14, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-aminothiophen-2-yl)-1H-pyrrole-2-carbaldehyde is sourced from PubChem (CID 102142272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).