5-azido-5-phenylpentanal

C11H13N3O — CID 102037559

IUPAC5-azido-5-phenylpentanal
SMILES[N-]=[N+]=NC(CCCC=O)c1ccccc1
InChIInChI=1S/C11H13N3O/c12-14-13-11(8-4-5-9-15)10-6-2-1-3-7-10/h1-3,6-7,9,11H,4-5,8H2
InChIKeyBHYKGDDPXZAEDA-UHFFFAOYSA-N
MW203.25 g/mol
LogP3.41
Rot. Bonds6

About 5-azido-5-phenylpentanal

5-azido-5-phenylpentanal (PubChem CID 102037559) has the molecular formula C11H13N3O and a molecular weight of 203.25 g/mol. Its IUPAC name is 5-azido-5-phenylpentanal.

Molecular Properties

Compound Name5-azido-5-phenylpentanal
PubChem CID102037559
Molecular FormulaC11H13N3O
Molecular Weight203.25 g/mol
Exact Mass203.11
IUPAC Name5-azido-5-phenylpentanal
SMILES[N-]=[N+]=NC(CCCC=O)c1ccccc1
InChIInChI=1S/C11H13N3O/c12-14-13-11(8-4-5-9-15)10-6-2-1-3-7-10/h1-3,6-7,9,11H,4-5,8H2
InChIKeyBHYKGDDPXZAEDA-UHFFFAOYSA-N
XLogP3.41
TPSA65.83 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.25
LogP ≤ 53.41
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'}

Analyze 5-azido-5-phenylpentanal 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-azido-5-phenylpentanal?
The IUPAC name of 5-azido-5-phenylpentanal (CID 102037559) is 5-azido-5-phenylpentanal.
What is the SMILES notation for 5-azido-5-phenylpentanal?
The canonical SMILES for 5-azido-5-phenylpentanal is [N-]=[N+]=NC(CCCC=O)c1ccccc1.
What is the InChIKey of 5-azido-5-phenylpentanal?
The InChIKey is BHYKGDDPXZAEDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O/c12-14-13-11(8-4-5-9-15)10-6-2-1-3-7-10/h1-3,6-7,9,11H,4-5,8H2.
What are the key properties of 5-azido-5-phenylpentanal?
5-azido-5-phenylpentanal has a molecular weight of 203.25 g/mol, XLogP of 3.41, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-azido-5-phenylpentanal is sourced from PubChem (CID 102037559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).