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

C15H17NO2 — CID 974663

IUPAC1-(2-ethoxyphenyl)-2,5-dimethylpyrrole-3-carbaldehyde
SMILESCCOc1ccccc1-n1c(C)cc(C=O)c1C
InChIInChI=1S/C15H17NO2/c1-4-18-15-8-6-5-7-14(15)16-11(2)9-13(10-17)12(16)3/h5-10H,4H2,1-3H3
InChIKeyAWSCFJVLUPPASC-UHFFFAOYSA-N
MW243.31 g/mol
LogP3.31
Rot. Bonds4

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

1-(2-ethoxyphenyl)-2,5-dimethylpyrrole-3-carbaldehyde (PubChem CID 974663) has the molecular formula C15H17NO2 and a molecular weight of 243.31 g/mol. Its IUPAC name is 1-(2-ethoxyphenyl)-2,5-dimethylpyrrole-3-carbaldehyde.

Molecular Properties

Compound Name1-(2-ethoxyphenyl)-2,5-dimethylpyrrole-3-carbaldehyde
PubChem CID974663
Molecular FormulaC15H17NO2
Molecular Weight243.31 g/mol
Exact Mass243.13
IUPAC Name1-(2-ethoxyphenyl)-2,5-dimethylpyrrole-3-carbaldehyde
SMILESCCOc1ccccc1-n1c(C)cc(C=O)c1C
InChIInChI=1S/C15H17NO2/c1-4-18-15-8-6-5-7-14(15)16-11(2)9-13(10-17)12(16)3/h5-10H,4H2,1-3H3
InChIKeyAWSCFJVLUPPASC-UHFFFAOYSA-N
XLogP3.31
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 53.31
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-ethoxyphenyl)-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-ethoxyphenyl)-2,5-dimethylpyrrole-3-carbaldehyde?
The IUPAC name of 1-(2-ethoxyphenyl)-2,5-dimethylpyrrole-3-carbaldehyde (CID 974663) is 1-(2-ethoxyphenyl)-2,5-dimethylpyrrole-3-carbaldehyde.
What is the SMILES notation for 1-(2-ethoxyphenyl)-2,5-dimethylpyrrole-3-carbaldehyde?
The canonical SMILES for 1-(2-ethoxyphenyl)-2,5-dimethylpyrrole-3-carbaldehyde is CCOc1ccccc1-n1c(C)cc(C=O)c1C.
What is the InChIKey of 1-(2-ethoxyphenyl)-2,5-dimethylpyrrole-3-carbaldehyde?
The InChIKey is AWSCFJVLUPPASC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO2/c1-4-18-15-8-6-5-7-14(15)16-11(2)9-13(10-17)12(16)3/h5-10H,4H2,1-3H3.
What are the key properties of 1-(2-ethoxyphenyl)-2,5-dimethylpyrrole-3-carbaldehyde?
1-(2-ethoxyphenyl)-2,5-dimethylpyrrole-3-carbaldehyde has a molecular weight of 243.31 g/mol, XLogP of 3.31, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethoxyphenyl)-2,5-dimethylpyrrole-3-carbaldehyde is sourced from PubChem (CID 974663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).