4H-cyclopenta[b]pyridine-3-carbaldehyde

C9H7NO — CID 145273813

IUPAC4H-cyclopenta[b]pyridine-3-carbaldehyde
SMILESO=CC1=CN=C2C=CC=C2C1
InChIInChI=1S/C9H7NO/c11-6-7-4-8-2-1-3-9(8)10-5-7/h1-3,5-6H,4H2
InChIKeyIWJDEOZSNGTXOC-UHFFFAOYSA-N
MW145.16 g/mol
LogP1.41
Rot. Bonds1

About 4H-cyclopenta[b]pyridine-3-carbaldehyde

4H-cyclopenta[b]pyridine-3-carbaldehyde (PubChem CID 145273813) has the molecular formula C9H7NO and a molecular weight of 145.16 g/mol. Its IUPAC name is 4H-cyclopenta[b]pyridine-3-carbaldehyde.

Molecular Properties

Compound Name4H-cyclopenta[b]pyridine-3-carbaldehyde
PubChem CID145273813
Molecular FormulaC9H7NO
Molecular Weight145.16 g/mol
Exact Mass145.05
IUPAC Name4H-cyclopenta[b]pyridine-3-carbaldehyde
SMILESO=CC1=CN=C2C=CC=C2C1
InChIInChI=1S/C9H7NO/c11-6-7-4-8-2-1-3-9(8)10-5-7/h1-3,5-6H,4H2
InChIKeyIWJDEOZSNGTXOC-UHFFFAOYSA-N
XLogP1.41
TPSA29.43 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 ≤ 51.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4H-cyclopenta[b]pyridine-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 4H-cyclopenta[b]pyridine-3-carbaldehyde?
The IUPAC name of 4H-cyclopenta[b]pyridine-3-carbaldehyde (CID 145273813) is 4H-cyclopenta[b]pyridine-3-carbaldehyde.
What is the SMILES notation for 4H-cyclopenta[b]pyridine-3-carbaldehyde?
The canonical SMILES for 4H-cyclopenta[b]pyridine-3-carbaldehyde is O=CC1=CN=C2C=CC=C2C1.
What is the InChIKey of 4H-cyclopenta[b]pyridine-3-carbaldehyde?
The InChIKey is IWJDEOZSNGTXOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7NO/c11-6-7-4-8-2-1-3-9(8)10-5-7/h1-3,5-6H,4H2.
What are the key properties of 4H-cyclopenta[b]pyridine-3-carbaldehyde?
4H-cyclopenta[b]pyridine-3-carbaldehyde has a molecular weight of 145.16 g/mol, XLogP of 1.41, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4H-cyclopenta[b]pyridine-3-carbaldehyde is sourced from PubChem (CID 145273813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).