indolizine-7-carbaldehyde

C9H7NO — CID 83679022

IUPACindolizine-7-carbaldehyde
SMILESO=Cc1ccn2cccc2c1
InChIInChI=1S/C9H7NO/c11-7-8-3-5-10-4-1-2-9(10)6-8/h1-7H
InChIKeyRYHGQJZGZGBJDU-UHFFFAOYSA-N
MW145.16 g/mol
LogP1.75
Rot. Bonds1

About indolizine-7-carbaldehyde

indolizine-7-carbaldehyde (PubChem CID 83679022) has the molecular formula C9H7NO and a molecular weight of 145.16 g/mol. Its IUPAC name is indolizine-7-carbaldehyde.

Molecular Properties

Compound Nameindolizine-7-carbaldehyde
PubChem CID83679022
Molecular FormulaC9H7NO
Molecular Weight145.16 g/mol
Exact Mass145.05
IUPAC Nameindolizine-7-carbaldehyde
SMILESO=Cc1ccn2cccc2c1
InChIInChI=1S/C9H7NO/c11-7-8-3-5-10-4-1-2-9(10)6-8/h1-7H
InChIKeyRYHGQJZGZGBJDU-UHFFFAOYSA-N
XLogP1.75
TPSA21.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.16
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze indolizine-7-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 indolizine-7-carbaldehyde?
The IUPAC name of indolizine-7-carbaldehyde (CID 83679022) is indolizine-7-carbaldehyde.
What is the SMILES notation for indolizine-7-carbaldehyde?
The canonical SMILES for indolizine-7-carbaldehyde is O=Cc1ccn2cccc2c1.
What is the InChIKey of indolizine-7-carbaldehyde?
The InChIKey is RYHGQJZGZGBJDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7NO/c11-7-8-3-5-10-4-1-2-9(10)6-8/h1-7H.
What are the key properties of indolizine-7-carbaldehyde?
indolizine-7-carbaldehyde has a molecular weight of 145.16 g/mol, XLogP of 1.75, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for indolizine-7-carbaldehyde is sourced from PubChem (CID 83679022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).