1-(2-methoxyphenyl)-2,5-dimethylpyrrole-3-carbaldehyde

C14H15NO2 — CID 1121197

IUPAC1-(2-methoxyphenyl)-2,5-dimethylpyrrole-3-carbaldehyde
SMILESCOc1ccccc1-n1c(C)cc(C=O)c1C
InChIInChI=1S/C14H15NO2/c1-10-8-12(9-16)11(2)15(10)13-6-4-5-7-14(13)17-3/h4-9H,1-3H3
InChIKeyLJUKIOLDWAYBCI-UHFFFAOYSA-N
MW229.28 g/mol
LogP2.92
Rot. Bonds3

About 1-(2-methoxyphenyl)-2,5-dimethylpyrrole-3-carbaldehyde

1-(2-methoxyphenyl)-2,5-dimethylpyrrole-3-carbaldehyde (PubChem CID 1121197) has the molecular formula C14H15NO2 and a molecular weight of 229.28 g/mol. Its IUPAC name is 1-(2-methoxyphenyl)-2,5-dimethylpyrrole-3-carbaldehyde.

Molecular Properties

Compound Name1-(2-methoxyphenyl)-2,5-dimethylpyrrole-3-carbaldehyde
PubChem CID1121197
Molecular FormulaC14H15NO2
Molecular Weight229.28 g/mol
Exact Mass229.11
IUPAC Name1-(2-methoxyphenyl)-2,5-dimethylpyrrole-3-carbaldehyde
SMILESCOc1ccccc1-n1c(C)cc(C=O)c1C
InChIInChI=1S/C14H15NO2/c1-10-8-12(9-16)11(2)15(10)13-6-4-5-7-14(13)17-3/h4-9H,1-3H3
InChIKeyLJUKIOLDWAYBCI-UHFFFAOYSA-N
XLogP2.92
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'pyrrole_A(118)', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze 1-(2-methoxyphenyl)-2,5-dimethylpyrrole-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 1-(2-methoxyphenyl)-2,5-dimethylpyrrole-3-carbaldehyde?
The IUPAC name of 1-(2-methoxyphenyl)-2,5-dimethylpyrrole-3-carbaldehyde (CID 1121197) is 1-(2-methoxyphenyl)-2,5-dimethylpyrrole-3-carbaldehyde.
What is the SMILES notation for 1-(2-methoxyphenyl)-2,5-dimethylpyrrole-3-carbaldehyde?
The canonical SMILES for 1-(2-methoxyphenyl)-2,5-dimethylpyrrole-3-carbaldehyde is COc1ccccc1-n1c(C)cc(C=O)c1C.
What is the InChIKey of 1-(2-methoxyphenyl)-2,5-dimethylpyrrole-3-carbaldehyde?
The InChIKey is LJUKIOLDWAYBCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO2/c1-10-8-12(9-16)11(2)15(10)13-6-4-5-7-14(13)17-3/h4-9H,1-3H3.
What are the key properties of 1-(2-methoxyphenyl)-2,5-dimethylpyrrole-3-carbaldehyde?
1-(2-methoxyphenyl)-2,5-dimethylpyrrole-3-carbaldehyde has a molecular weight of 229.28 g/mol, XLogP of 2.92, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyphenyl)-2,5-dimethylpyrrole-3-carbaldehyde is sourced from PubChem (CID 1121197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).