1-[(2-ethylphenyl)methyl]pyrrole-2-carbaldehyde

C14H15NO — CID 64693294

IUPAC1-[(2-ethylphenyl)methyl]pyrrole-2-carbaldehyde
SMILESCCc1ccccc1Cn1cccc1C=O
InChIInChI=1S/C14H15NO/c1-2-12-6-3-4-7-13(12)10-15-9-5-8-14(15)11-16/h3-9,11H,2,10H2,1H3
InChIKeyAQOCFWNWZFEPNK-UHFFFAOYSA-N
MW213.28 g/mol
LogP2.91
Rot. Bonds4

About 1-[(2-ethylphenyl)methyl]pyrrole-2-carbaldehyde

1-[(2-ethylphenyl)methyl]pyrrole-2-carbaldehyde (PubChem CID 64693294) has the molecular formula C14H15NO and a molecular weight of 213.28 g/mol. Its IUPAC name is 1-[(2-ethylphenyl)methyl]pyrrole-2-carbaldehyde.

Molecular Properties

Compound Name1-[(2-ethylphenyl)methyl]pyrrole-2-carbaldehyde
PubChem CID64693294
Molecular FormulaC14H15NO
Molecular Weight213.28 g/mol
Exact Mass213.12
IUPAC Name1-[(2-ethylphenyl)methyl]pyrrole-2-carbaldehyde
SMILESCCc1ccccc1Cn1cccc1C=O
InChIInChI=1S/C14H15NO/c1-2-12-6-3-4-7-13(12)10-15-9-5-8-14(15)11-16/h3-9,11H,2,10H2,1H3
InChIKeyAQOCFWNWZFEPNK-UHFFFAOYSA-N
XLogP2.91
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-[(2-ethylphenyl)methyl]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-[(2-ethylphenyl)methyl]pyrrole-2-carbaldehyde?
The IUPAC name of 1-[(2-ethylphenyl)methyl]pyrrole-2-carbaldehyde (CID 64693294) is 1-[(2-ethylphenyl)methyl]pyrrole-2-carbaldehyde.
What is the SMILES notation for 1-[(2-ethylphenyl)methyl]pyrrole-2-carbaldehyde?
The canonical SMILES for 1-[(2-ethylphenyl)methyl]pyrrole-2-carbaldehyde is CCc1ccccc1Cn1cccc1C=O.
What is the InChIKey of 1-[(2-ethylphenyl)methyl]pyrrole-2-carbaldehyde?
The InChIKey is AQOCFWNWZFEPNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO/c1-2-12-6-3-4-7-13(12)10-15-9-5-8-14(15)11-16/h3-9,11H,2,10H2,1H3.
What are the key properties of 1-[(2-ethylphenyl)methyl]pyrrole-2-carbaldehyde?
1-[(2-ethylphenyl)methyl]pyrrole-2-carbaldehyde has a molecular weight of 213.28 g/mol, XLogP of 2.91, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-ethylphenyl)methyl]pyrrole-2-carbaldehyde is sourced from PubChem (CID 64693294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).