naphthalene-2-carbonyl azide

C11H7N3O — CID 588146

IUPACnaphthalene-2-carbonyl azide
SMILES[N-]=[N+]=NC(=O)c1ccc2ccccc2c1
InChIInChI=1S/C11H7N3O/c12-14-13-11(15)10-6-5-8-3-1-2-4-9(8)7-10/h1-7H
InChIKeyCTMUHCFHEZQAEJ-UHFFFAOYSA-N
MW197.20 g/mol
LogP3.29
Rot. Bonds1

About naphthalene-2-carbonyl azide

naphthalene-2-carbonyl azide (PubChem CID 588146) has the molecular formula C11H7N3O and a molecular weight of 197.20 g/mol. Its IUPAC name is naphthalene-2-carbonyl azide.

Molecular Properties

Compound Namenaphthalene-2-carbonyl azide
PubChem CID588146
Molecular FormulaC11H7N3O
Molecular Weight197.20 g/mol
Exact Mass197.06
IUPAC Namenaphthalene-2-carbonyl azide
SMILES[N-]=[N+]=NC(=O)c1ccc2ccccc2c1
InChIInChI=1S/C11H7N3O/c12-14-13-11(15)10-6-5-8-3-1-2-4-9(8)7-10/h1-7H
InChIKeyCTMUHCFHEZQAEJ-UHFFFAOYSA-N
XLogP3.29
TPSA65.83 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.20
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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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Related Compounds

1-Naphthohydroxamic Acid
CID 23382
1-Naphthalenecarboxamide
CID 75244
2-Naphthalenecarboxamide
CID 75245
N-hydroxy-4-(naphthalen-1-yl)benzamide
CID 17748273
4-Benzylbenzamide
CID 21920336
Anthracene-2-carboxylic acid hydroxyamide
CID 20227315
N-Hydroxy-4-naphthalen-2-yl-benzamide
CID 44369651
3,4-Dimethylbenzamide
CID 21755
2-Naphthaleneacetamide
CID 95293
1-Naphthohydrazide
CID 72689
2-Naphthohydrazide
CID 123485
4-Phenylbenzamide
CID 602506

Frequently Asked Questions

What is the IUPAC name of naphthalene-2-carbonyl azide?
The IUPAC name of naphthalene-2-carbonyl azide (CID 588146) is naphthalene-2-carbonyl azide.
What is the SMILES notation for naphthalene-2-carbonyl azide?
The canonical SMILES for naphthalene-2-carbonyl azide is [N-]=[N+]=NC(=O)c1ccc2ccccc2c1.
What is the InChIKey of naphthalene-2-carbonyl azide?
The InChIKey is CTMUHCFHEZQAEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7N3O/c12-14-13-11(15)10-6-5-8-3-1-2-4-9(8)7-10/h1-7H.
What are the key properties of naphthalene-2-carbonyl azide?
naphthalene-2-carbonyl azide has a molecular weight of 197.20 g/mol, XLogP of 3.29, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for naphthalene-2-carbonyl azide is sourced from PubChem (CID 588146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).