5-methyl-1-(2-methylpropyl)pyrrole-2-carbaldehyde

C10H15NO — CID 53439025

IUPAC5-methyl-1-(2-methylpropyl)pyrrole-2-carbaldehyde
SMILESCc1ccc(C=O)n1CC(C)C
InChIInChI=1S/C10H15NO/c1-8(2)6-11-9(3)4-5-10(11)7-12/h4-5,7-8H,6H2,1-3H3
InChIKeyYEIYSWAXMWCAHY-UHFFFAOYSA-N
MW165.24 g/mol
LogP2.27
Rot. Bonds3

About 5-methyl-1-(2-methylpropyl)pyrrole-2-carbaldehyde

5-methyl-1-(2-methylpropyl)pyrrole-2-carbaldehyde (PubChem CID 53439025) has the molecular formula C10H15NO and a molecular weight of 165.24 g/mol. Its IUPAC name is 5-methyl-1-(2-methylpropyl)pyrrole-2-carbaldehyde.

Molecular Properties

Compound Name5-methyl-1-(2-methylpropyl)pyrrole-2-carbaldehyde
PubChem CID53439025
Molecular FormulaC10H15NO
Molecular Weight165.24 g/mol
Exact Mass165.12
IUPAC Name5-methyl-1-(2-methylpropyl)pyrrole-2-carbaldehyde
SMILESCc1ccc(C=O)n1CC(C)C
InChIInChI=1S/C10H15NO/c1-8(2)6-11-9(3)4-5-10(11)7-12/h4-5,7-8H,6H2,1-3H3
InChIKeyYEIYSWAXMWCAHY-UHFFFAOYSA-N
XLogP2.27
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.24
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 5-methyl-1-(2-methylpropyl)pyrrole-2-carbaldehyde with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-(2-methylpropyl)pyrrole-2-carbaldehyde?
The IUPAC name of 5-methyl-1-(2-methylpropyl)pyrrole-2-carbaldehyde (CID 53439025) is 5-methyl-1-(2-methylpropyl)pyrrole-2-carbaldehyde.
What is the SMILES notation for 5-methyl-1-(2-methylpropyl)pyrrole-2-carbaldehyde?
The canonical SMILES for 5-methyl-1-(2-methylpropyl)pyrrole-2-carbaldehyde is Cc1ccc(C=O)n1CC(C)C.
What is the InChIKey of 5-methyl-1-(2-methylpropyl)pyrrole-2-carbaldehyde?
The InChIKey is YEIYSWAXMWCAHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO/c1-8(2)6-11-9(3)4-5-10(11)7-12/h4-5,7-8H,6H2,1-3H3.
What are the key properties of 5-methyl-1-(2-methylpropyl)pyrrole-2-carbaldehyde?
5-methyl-1-(2-methylpropyl)pyrrole-2-carbaldehyde has a molecular weight of 165.24 g/mol, XLogP of 2.27, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-(2-methylpropyl)pyrrole-2-carbaldehyde is sourced from PubChem (CID 53439025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).