5-azidopentanal

C5H9N3O — CID 14471037

IUPAC5-azidopentanal
SMILES[N-]=[N+]=NCCCCC=O
InChIInChI=1S/C5H9N3O/c6-8-7-4-2-1-3-5-9/h5H,1-4H2
InChIKeyNIZGSZGYYLCPBJ-UHFFFAOYSA-N
MW127.15 g/mol
LogP1.67
Rot. Bonds5

About 5-azidopentanal

5-azidopentanal (PubChem CID 14471037) has the molecular formula C5H9N3O and a molecular weight of 127.15 g/mol. Its IUPAC name is 5-azidopentanal.

Molecular Properties

Compound Name5-azidopentanal
PubChem CID14471037
Molecular FormulaC5H9N3O
Molecular Weight127.15 g/mol
Exact Mass127.07
IUPAC Name5-azidopentanal
SMILES[N-]=[N+]=NCCCCC=O
InChIInChI=1S/C5H9N3O/c6-8-7-4-2-1-3-5-9/h5H,1-4H2
InChIKeyNIZGSZGYYLCPBJ-UHFFFAOYSA-N
XLogP1.67
TPSA65.83 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.15
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-azidopentanal?
The IUPAC name of 5-azidopentanal (CID 14471037) is 5-azidopentanal.
What is the SMILES notation for 5-azidopentanal?
The canonical SMILES for 5-azidopentanal is [N-]=[N+]=NCCCCC=O.
What is the InChIKey of 5-azidopentanal?
The InChIKey is NIZGSZGYYLCPBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9N3O/c6-8-7-4-2-1-3-5-9/h5H,1-4H2.
What are the key properties of 5-azidopentanal?
5-azidopentanal has a molecular weight of 127.15 g/mol, XLogP of 1.67, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-azidopentanal is sourced from PubChem (CID 14471037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).