5-methyl-1H-pyrrole-2-carbaldehyde

C6H7NO — CID 14508

IUPAC5-methyl-1H-pyrrole-2-carbaldehyde
SMILESCc1ccc(C=O)[nH]1
InChIInChI=1S/C6H7NO/c1-5-2-3-6(4-8)7-5/h2-4,7H,1H3
InChIKeyLFWLUDLUCDRDAF-UHFFFAOYSA-N
MW109.13 g/mol
LogP1.14
Rot. Bonds1

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

5-methyl-1H-pyrrole-2-carbaldehyde (PubChem CID 14508) has the molecular formula C6H7NO and a molecular weight of 109.13 g/mol. Its IUPAC name is 5-methyl-1H-pyrrole-2-carbaldehyde.

Molecular Properties

Compound Name5-methyl-1H-pyrrole-2-carbaldehyde
PubChem CID14508
Molecular FormulaC6H7NO
Molecular Weight109.13 g/mol
Exact Mass109.05
IUPAC Name5-methyl-1H-pyrrole-2-carbaldehyde
SMILESCc1ccc(C=O)[nH]1
InChIInChI=1S/C6H7NO/c1-5-2-3-6(4-8)7-5/h2-4,7H,1H3
InChIKeyLFWLUDLUCDRDAF-UHFFFAOYSA-N
XLogP1.14
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500109.13
LogP ≤ 51.14
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-methyl-1H-pyrrole-2-carbaldehyde?
The IUPAC name of 5-methyl-1H-pyrrole-2-carbaldehyde (CID 14508) is 5-methyl-1H-pyrrole-2-carbaldehyde.
What is the SMILES notation for 5-methyl-1H-pyrrole-2-carbaldehyde?
The canonical SMILES for 5-methyl-1H-pyrrole-2-carbaldehyde is Cc1ccc(C=O)[nH]1.
What is the InChIKey of 5-methyl-1H-pyrrole-2-carbaldehyde?
The InChIKey is LFWLUDLUCDRDAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7NO/c1-5-2-3-6(4-8)7-5/h2-4,7H,1H3.
What are the key properties of 5-methyl-1H-pyrrole-2-carbaldehyde?
5-methyl-1H-pyrrole-2-carbaldehyde has a molecular weight of 109.13 g/mol, XLogP of 1.14, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1H-pyrrole-2-carbaldehyde is sourced from PubChem (CID 14508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).