2-phenylindolizine-3-carbaldehyde

C15H11NO — CID 818143

IUPAC2-phenylindolizine-3-carbaldehyde
SMILESO=Cc1c(-c2ccccc2)cc2ccccn12
InChIInChI=1S/C15H11NO/c17-11-15-14(12-6-2-1-3-7-12)10-13-8-4-5-9-16(13)15/h1-11H
InChIKeyHXCCGUNEMZFUFU-UHFFFAOYSA-N
MW221.26 g/mol
LogP3.42
Rot. Bonds2

About 2-phenylindolizine-3-carbaldehyde

2-phenylindolizine-3-carbaldehyde (PubChem CID 818143) has the molecular formula C15H11NO and a molecular weight of 221.26 g/mol. Its IUPAC name is 2-phenylindolizine-3-carbaldehyde.

Molecular Properties

Compound Name2-phenylindolizine-3-carbaldehyde
PubChem CID818143
Molecular FormulaC15H11NO
Molecular Weight221.26 g/mol
Exact Mass221.08
IUPAC Name2-phenylindolizine-3-carbaldehyde
SMILESO=Cc1c(-c2ccccc2)cc2ccccn12
InChIInChI=1S/C15H11NO/c17-11-15-14(12-6-2-1-3-7-12)10-13-8-4-5-9-16(13)15/h1-11H
InChIKeyHXCCGUNEMZFUFU-UHFFFAOYSA-N
XLogP3.42
TPSA21.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-phenylindolizine-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

Related Compounds

1-methoxy-1H-indole-3-carbaldehyde
CID 398554
2-Benzoylpyridine
CID 7038
1-Methyl-1H-indole-3-carbaldehyde
CID 87894
4-Quinolinecarboxaldehyde
CID 78072
1-(4-methylbenzyl)-1H-indole-3-carbaldehyde
CID 775565
1-benzyl-1H-indole-3-carbaldehyde
CID 262104
1-[(3-Fluorophenyl)methyl]-1H-indole-3-carboxaldehyde
CID 716281
1-methyl-1H-indole-5-carbaldehyde
CID 7537534
9-ethyl-9H-carbazole-3-carbaldehyde
CID 82055
5-fluoro-1-methyl-1H-indole-3-carbaldehyde
CID 1382009
N-(2-hydroxyethyl)-2-oxo-2-(2-phenylindolizin-3-yl)acetamide
CID 2348895
1H-Indol-1-ylphenylmethanone
CID 200283

Frequently Asked Questions

What is the IUPAC name of 2-phenylindolizine-3-carbaldehyde?
The IUPAC name of 2-phenylindolizine-3-carbaldehyde (CID 818143) is 2-phenylindolizine-3-carbaldehyde.
What is the SMILES notation for 2-phenylindolizine-3-carbaldehyde?
The canonical SMILES for 2-phenylindolizine-3-carbaldehyde is O=Cc1c(-c2ccccc2)cc2ccccn12.
What is the InChIKey of 2-phenylindolizine-3-carbaldehyde?
The InChIKey is HXCCGUNEMZFUFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11NO/c17-11-15-14(12-6-2-1-3-7-12)10-13-8-4-5-9-16(13)15/h1-11H.
What are the key properties of 2-phenylindolizine-3-carbaldehyde?
2-phenylindolizine-3-carbaldehyde has a molecular weight of 221.26 g/mol, XLogP of 3.42, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenylindolizine-3-carbaldehyde is sourced from PubChem (CID 818143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).