9-azidophenalen-1-one

C13H7N3O — CID 21143079

IUPAC9-azidophenalen-1-one
SMILES[N-]=[N+]=Nc1ccc2cccc3c2c1C(=O)C=C3
InChIInChI=1S/C13H7N3O/c14-16-15-10-6-4-8-2-1-3-9-5-7-11(17)13(10)12(8)9/h1-7H
InChIKeyBDTZBEGJZRWXNC-UHFFFAOYSA-N
MW221.22 g/mol
LogP3.99
Rot. Bonds1

About 9-azidophenalen-1-one

9-azidophenalen-1-one (PubChem CID 21143079) has the molecular formula C13H7N3O and a molecular weight of 221.22 g/mol. Its IUPAC name is 9-azidophenalen-1-one.

Molecular Properties

Compound Name9-azidophenalen-1-one
PubChem CID21143079
Molecular FormulaC13H7N3O
Molecular Weight221.22 g/mol
Exact Mass221.06
IUPAC Name9-azidophenalen-1-one
SMILES[N-]=[N+]=Nc1ccc2cccc3c2c1C(=O)C=C3
InChIInChI=1S/C13H7N3O/c14-16-15-10-6-4-8-2-1-3-9-5-7-11(17)13(10)12(8)9/h1-7H
InChIKeyBDTZBEGJZRWXNC-UHFFFAOYSA-N
XLogP3.99
TPSA65.83 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.22
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 9-azidophenalen-1-one?
The IUPAC name of 9-azidophenalen-1-one (CID 21143079) is 9-azidophenalen-1-one.
What is the SMILES notation for 9-azidophenalen-1-one?
The canonical SMILES for 9-azidophenalen-1-one is [N-]=[N+]=Nc1ccc2cccc3c2c1C(=O)C=C3.
What is the InChIKey of 9-azidophenalen-1-one?
The InChIKey is BDTZBEGJZRWXNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7N3O/c14-16-15-10-6-4-8-2-1-3-9-5-7-11(17)13(10)12(8)9/h1-7H.
What are the key properties of 9-azidophenalen-1-one?
9-azidophenalen-1-one has a molecular weight of 221.22 g/mol, XLogP of 3.99, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-azidophenalen-1-one is sourced from PubChem (CID 21143079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).