5-phenyl-1H-pyrrole-2-carbaldehyde

C11H9NO — CID 598782

IUPAC5-phenyl-1H-pyrrole-2-carbaldehyde
SMILESO=Cc1ccc(-c2ccccc2)[nH]1
InChIInChI=1S/C11H9NO/c13-8-10-6-7-11(12-10)9-4-2-1-3-5-9/h1-8,12H
InChIKeyAWLDDDPIAFHCFV-UHFFFAOYSA-N
MW171.20 g/mol
LogP2.49
Rot. Bonds2

About 5-phenyl-1H-pyrrole-2-carbaldehyde

5-phenyl-1H-pyrrole-2-carbaldehyde (PubChem CID 598782) has the molecular formula C11H9NO and a molecular weight of 171.20 g/mol. Its IUPAC name is 5-phenyl-1H-pyrrole-2-carbaldehyde.

Molecular Properties

Compound Name5-phenyl-1H-pyrrole-2-carbaldehyde
PubChem CID598782
Molecular FormulaC11H9NO
Molecular Weight171.20 g/mol
Exact Mass171.07
IUPAC Name5-phenyl-1H-pyrrole-2-carbaldehyde
SMILESO=Cc1ccc(-c2ccccc2)[nH]1
InChIInChI=1S/C11H9NO/c13-8-10-6-7-11(12-10)9-4-2-1-3-5-9/h1-8,12H
InChIKeyAWLDDDPIAFHCFV-UHFFFAOYSA-N
XLogP2.49
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.20
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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-phenyl-1H-pyrrole-2-carbaldehyde?
The IUPAC name of 5-phenyl-1H-pyrrole-2-carbaldehyde (CID 598782) is 5-phenyl-1H-pyrrole-2-carbaldehyde.
What is the SMILES notation for 5-phenyl-1H-pyrrole-2-carbaldehyde?
The canonical SMILES for 5-phenyl-1H-pyrrole-2-carbaldehyde is O=Cc1ccc(-c2ccccc2)[nH]1.
What is the InChIKey of 5-phenyl-1H-pyrrole-2-carbaldehyde?
The InChIKey is AWLDDDPIAFHCFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9NO/c13-8-10-6-7-11(12-10)9-4-2-1-3-5-9/h1-8,12H.
What are the key properties of 5-phenyl-1H-pyrrole-2-carbaldehyde?
5-phenyl-1H-pyrrole-2-carbaldehyde has a molecular weight of 171.20 g/mol, XLogP of 2.49, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenyl-1H-pyrrole-2-carbaldehyde is sourced from PubChem (CID 598782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).