2-methoxy-5-(3-methylphenyl)-1H-pyrrole-3-carbaldehyde

C13H13NO2 — CID 14939319

IUPAC2-methoxy-5-(3-methylphenyl)-1H-pyrrole-3-carbaldehyde
SMILESCOc1[nH]c(-c2cccc(C)c2)cc1C=O
InChIInChI=1S/C13H13NO2/c1-9-4-3-5-10(6-9)12-7-11(8-15)13(14-12)16-2/h3-8,14H,1-2H3
InChIKeyHLSBFHXFEGEYNI-UHFFFAOYSA-N
MW215.25 g/mol
LogP2.81
Rot. Bonds3

About 2-methoxy-5-(3-methylphenyl)-1H-pyrrole-3-carbaldehyde

2-methoxy-5-(3-methylphenyl)-1H-pyrrole-3-carbaldehyde (PubChem CID 14939319) has the molecular formula C13H13NO2 and a molecular weight of 215.25 g/mol. Its IUPAC name is 2-methoxy-5-(3-methylphenyl)-1H-pyrrole-3-carbaldehyde.

Molecular Properties

Compound Name2-methoxy-5-(3-methylphenyl)-1H-pyrrole-3-carbaldehyde
PubChem CID14939319
Molecular FormulaC13H13NO2
Molecular Weight215.25 g/mol
Exact Mass215.09
IUPAC Name2-methoxy-5-(3-methylphenyl)-1H-pyrrole-3-carbaldehyde
SMILESCOc1[nH]c(-c2cccc(C)c2)cc1C=O
InChIInChI=1S/C13H13NO2/c1-9-4-3-5-10(6-9)12-7-11(8-15)13(14-12)16-2/h3-8,14H,1-2H3
InChIKeyHLSBFHXFEGEYNI-UHFFFAOYSA-N
XLogP2.81
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.25
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-methoxy-5-(3-methylphenyl)-1H-pyrrole-3-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 2-methoxy-5-(3-methylphenyl)-1H-pyrrole-3-carbaldehyde?
The IUPAC name of 2-methoxy-5-(3-methylphenyl)-1H-pyrrole-3-carbaldehyde (CID 14939319) is 2-methoxy-5-(3-methylphenyl)-1H-pyrrole-3-carbaldehyde.
What is the SMILES notation for 2-methoxy-5-(3-methylphenyl)-1H-pyrrole-3-carbaldehyde?
The canonical SMILES for 2-methoxy-5-(3-methylphenyl)-1H-pyrrole-3-carbaldehyde is COc1[nH]c(-c2cccc(C)c2)cc1C=O.
What is the InChIKey of 2-methoxy-5-(3-methylphenyl)-1H-pyrrole-3-carbaldehyde?
The InChIKey is HLSBFHXFEGEYNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO2/c1-9-4-3-5-10(6-9)12-7-11(8-15)13(14-12)16-2/h3-8,14H,1-2H3.
What are the key properties of 2-methoxy-5-(3-methylphenyl)-1H-pyrrole-3-carbaldehyde?
2-methoxy-5-(3-methylphenyl)-1H-pyrrole-3-carbaldehyde has a molecular weight of 215.25 g/mol, XLogP of 2.81, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-5-(3-methylphenyl)-1H-pyrrole-3-carbaldehyde is sourced from PubChem (CID 14939319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).