1-methyl-5-(4-propan-2-ylphenyl)pyrrole-2-carbaldehyde

C15H17NO — CID 28811544

IUPAC1-methyl-5-(4-propan-2-ylphenyl)pyrrole-2-carbaldehyde
SMILESCC(C)c1ccc(-c2ccc(C=O)n2C)cc1
InChIInChI=1S/C15H17NO/c1-11(2)12-4-6-13(7-5-12)15-9-8-14(10-17)16(15)3/h4-11H,1-3H3
InChIKeyQWRJGVMICIOVQH-UHFFFAOYSA-N
MW227.31 g/mol
LogP3.63
Rot. Bonds3

About 1-methyl-5-(4-propan-2-ylphenyl)pyrrole-2-carbaldehyde

1-methyl-5-(4-propan-2-ylphenyl)pyrrole-2-carbaldehyde (PubChem CID 28811544) has the molecular formula C15H17NO and a molecular weight of 227.31 g/mol. Its IUPAC name is 1-methyl-5-(4-propan-2-ylphenyl)pyrrole-2-carbaldehyde.

Molecular Properties

Compound Name1-methyl-5-(4-propan-2-ylphenyl)pyrrole-2-carbaldehyde
PubChem CID28811544
Molecular FormulaC15H17NO
Molecular Weight227.31 g/mol
Exact Mass227.13
IUPAC Name1-methyl-5-(4-propan-2-ylphenyl)pyrrole-2-carbaldehyde
SMILESCC(C)c1ccc(-c2ccc(C=O)n2C)cc1
InChIInChI=1S/C15H17NO/c1-11(2)12-4-6-13(7-5-12)15-9-8-14(10-17)16(15)3/h4-11H,1-3H3
InChIKeyQWRJGVMICIOVQH-UHFFFAOYSA-N
XLogP3.63
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-methyl-5-(4-propan-2-ylphenyl)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 1-methyl-5-(4-propan-2-ylphenyl)pyrrole-2-carbaldehyde?
The IUPAC name of 1-methyl-5-(4-propan-2-ylphenyl)pyrrole-2-carbaldehyde (CID 28811544) is 1-methyl-5-(4-propan-2-ylphenyl)pyrrole-2-carbaldehyde.
What is the SMILES notation for 1-methyl-5-(4-propan-2-ylphenyl)pyrrole-2-carbaldehyde?
The canonical SMILES for 1-methyl-5-(4-propan-2-ylphenyl)pyrrole-2-carbaldehyde is CC(C)c1ccc(-c2ccc(C=O)n2C)cc1.
What is the InChIKey of 1-methyl-5-(4-propan-2-ylphenyl)pyrrole-2-carbaldehyde?
The InChIKey is QWRJGVMICIOVQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO/c1-11(2)12-4-6-13(7-5-12)15-9-8-14(10-17)16(15)3/h4-11H,1-3H3.
What are the key properties of 1-methyl-5-(4-propan-2-ylphenyl)pyrrole-2-carbaldehyde?
1-methyl-5-(4-propan-2-ylphenyl)pyrrole-2-carbaldehyde has a molecular weight of 227.31 g/mol, XLogP of 3.63, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-(4-propan-2-ylphenyl)pyrrole-2-carbaldehyde is sourced from PubChem (CID 28811544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).