3-(3-methoxyphenyl)-1-methylpyrrole-2-carbaldehyde

C13H13NO2 — CID 125456181

IUPAC3-(3-methoxyphenyl)-1-methylpyrrole-2-carbaldehyde
SMILESCOc1cccc(-c2ccn(C)c2C=O)c1
InChIInChI=1S/C13H13NO2/c1-14-7-6-12(13(14)9-15)10-4-3-5-11(8-10)16-2/h3-9H,1-2H3
InChIKeyIJPRACZXIKSPPG-UHFFFAOYSA-N
MW215.25 g/mol
LogP2.51
Rot. Bonds3

About 3-(3-methoxyphenyl)-1-methylpyrrole-2-carbaldehyde

3-(3-methoxyphenyl)-1-methylpyrrole-2-carbaldehyde (PubChem CID 125456181) has the molecular formula C13H13NO2 and a molecular weight of 215.25 g/mol. Its IUPAC name is 3-(3-methoxyphenyl)-1-methylpyrrole-2-carbaldehyde.

Molecular Properties

Compound Name3-(3-methoxyphenyl)-1-methylpyrrole-2-carbaldehyde
PubChem CID125456181
Molecular FormulaC13H13NO2
Molecular Weight215.25 g/mol
Exact Mass215.09
IUPAC Name3-(3-methoxyphenyl)-1-methylpyrrole-2-carbaldehyde
SMILESCOc1cccc(-c2ccn(C)c2C=O)c1
InChIInChI=1S/C13H13NO2/c1-14-7-6-12(13(14)9-15)10-4-3-5-11(8-10)16-2/h3-9H,1-2H3
InChIKeyIJPRACZXIKSPPG-UHFFFAOYSA-N
XLogP2.51
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.25
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-(3-methoxyphenyl)-1-methylpyrrole-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

Related Compounds

1-methyl-3-(3-methylphenyl)pyrrole-2-carbaldehyde
CID 83485250
5-[2-(3-methoxyphenyl)phenyl]furan-2-carbaldehyde
CID 58838892
5-chloro-2-(3-methoxyphenyl)imidazo[1,2-a]pyridine-3-carbaldehyde
CID 82342872
azane;1-methoxy-3-(3-methoxyphenyl)benzene
CID 174719266
1-methoxy-3-(3-methoxyphenyl)benzene;sulfane
CID 175169762
4-(3-methoxyphenyl)-1,2-oxazole-3-carbaldehyde
CID 105423012
5-(3-methoxyphenyl)-1-methylpyrazole-4-carbaldehyde
CID 83821629
2-[2-(3-methoxyphenyl)phenyl]phenol
CID 135057832
2-tert-butyl-6-(3-methoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazole-5-carbaldehyde
CID 39198272
2,3,5,6-tetrakis(3-methoxyphenyl)pyrazine
CID 132941107
3-amino-4-(3-methoxyphenyl)-1-propan-2-ylpyridin-2-one
CID 139946734
3-(3-methoxyphenyl)-1,2-oxazole-4-carbaldehyde
CID 82362919

Frequently Asked Questions

What is the IUPAC name of 3-(3-methoxyphenyl)-1-methylpyrrole-2-carbaldehyde?
The IUPAC name of 3-(3-methoxyphenyl)-1-methylpyrrole-2-carbaldehyde (CID 125456181) is 3-(3-methoxyphenyl)-1-methylpyrrole-2-carbaldehyde.
What is the SMILES notation for 3-(3-methoxyphenyl)-1-methylpyrrole-2-carbaldehyde?
The canonical SMILES for 3-(3-methoxyphenyl)-1-methylpyrrole-2-carbaldehyde is COc1cccc(-c2ccn(C)c2C=O)c1.
What is the InChIKey of 3-(3-methoxyphenyl)-1-methylpyrrole-2-carbaldehyde?
The InChIKey is IJPRACZXIKSPPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO2/c1-14-7-6-12(13(14)9-15)10-4-3-5-11(8-10)16-2/h3-9H,1-2H3.
What are the key properties of 3-(3-methoxyphenyl)-1-methylpyrrole-2-carbaldehyde?
3-(3-methoxyphenyl)-1-methylpyrrole-2-carbaldehyde has a molecular weight of 215.25 g/mol, XLogP of 2.51, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methoxyphenyl)-1-methylpyrrole-2-carbaldehyde is sourced from PubChem (CID 125456181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).