5-(azetidin-1-yl)-5-oxopentanal

C8H13NO2 — CID 142529697

IUPAC5-(azetidin-1-yl)-5-oxopentanal
SMILESO=CCCCC(=O)N1CCC1
InChIInChI=1S/C8H13NO2/c10-7-2-1-4-8(11)9-5-3-6-9/h7H,1-6H2
InChIKeyGRAYXXZESXELKD-UHFFFAOYSA-N
MW155.20 g/mol
LogP0.59
Rot. Bonds4

About 5-(azetidin-1-yl)-5-oxopentanal

5-(azetidin-1-yl)-5-oxopentanal (PubChem CID 142529697) has the molecular formula C8H13NO2 and a molecular weight of 155.20 g/mol. Its IUPAC name is 5-(azetidin-1-yl)-5-oxopentanal.

Molecular Properties

Compound Name5-(azetidin-1-yl)-5-oxopentanal
PubChem CID142529697
Molecular FormulaC8H13NO2
Molecular Weight155.20 g/mol
Exact Mass155.09
IUPAC Name5-(azetidin-1-yl)-5-oxopentanal
SMILESO=CCCCC(=O)N1CCC1
InChIInChI=1S/C8H13NO2/c10-7-2-1-4-8(11)9-5-3-6-9/h7H,1-6H2
InChIKeyGRAYXXZESXELKD-UHFFFAOYSA-N
XLogP0.59
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.20
LogP ≤ 50.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 5-(azetidin-1-yl)-5-oxopentanal 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 5-(azetidin-1-yl)-5-oxopentanal?
The IUPAC name of 5-(azetidin-1-yl)-5-oxopentanal (CID 142529697) is 5-(azetidin-1-yl)-5-oxopentanal.
What is the SMILES notation for 5-(azetidin-1-yl)-5-oxopentanal?
The canonical SMILES for 5-(azetidin-1-yl)-5-oxopentanal is O=CCCCC(=O)N1CCC1.
What is the InChIKey of 5-(azetidin-1-yl)-5-oxopentanal?
The InChIKey is GRAYXXZESXELKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO2/c10-7-2-1-4-8(11)9-5-3-6-9/h7H,1-6H2.
What are the key properties of 5-(azetidin-1-yl)-5-oxopentanal?
5-(azetidin-1-yl)-5-oxopentanal has a molecular weight of 155.20 g/mol, XLogP of 0.59, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(azetidin-1-yl)-5-oxopentanal is sourced from PubChem (CID 142529697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).