azane;N-hydroxy-N-naphthalen-1-ylnitramide

C10H11N3O3 — CID 174842769

IUPACazane;N-hydroxy-N-naphthalen-1-ylnitramide
SMILESN.O=[N+]([O-])N(O)c1cccc2ccccc12
InChIInChI=1S/C10H8N2O3.H3N/c13-11(12(14)15)10-7-3-5-8-4-1-2-6-9(8)10;/h1-7,13H;1H3
InChIKeyZYQISIRXUVPPFE-UHFFFAOYSA-N
MW221.22 g/mol
LogP2.39
Rot. Bonds2

About azane;N-hydroxy-N-naphthalen-1-ylnitramide

azane;N-hydroxy-N-naphthalen-1-ylnitramide (PubChem CID 174842769) has the molecular formula C10H11N3O3 and a molecular weight of 221.22 g/mol. Its IUPAC name is azane;N-hydroxy-N-naphthalen-1-ylnitramide.

Molecular Properties

Compound Nameazane;N-hydroxy-N-naphthalen-1-ylnitramide
PubChem CID174842769
Molecular FormulaC10H11N3O3
Molecular Weight221.22 g/mol
Exact Mass221.08
IUPAC Nameazane;N-hydroxy-N-naphthalen-1-ylnitramide
SMILESN.O=[N+]([O-])N(O)c1cccc2ccccc12
InChIInChI=1S/C10H8N2O3.H3N/c13-11(12(14)15)10-7-3-5-8-4-1-2-6-9(8)10;/h1-7,13H;1H3
InChIKeyZYQISIRXUVPPFE-UHFFFAOYSA-N
XLogP2.39
TPSA101.61 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.22
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'N-nitroso', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-methyl-N-naphthalen-1-ylnitramide
CID 827544
[naphthalen-1-yl(nitro)amino] nitrite
CID 57299923
1,1,2,2-tetranaphthalen-1-ylhydrazine
CID 21439529
N-hydroxy-N-naphthalen-1-ylbenzamide
CID 12512835
[methyl(naphthalen-1-yl)amino]methylphosphonic acid
CID 19024142
N,N-dimethylnaphthalen-1-amine;hydroxylamine
CID 135773162
1-nitronaphthalene;hydrate
CID 174470741
N,N-dimethylnaphthalen-1-amine;sulfuric acid
CID 159908177
ethene;N-methyl-N-[(2Z,4E)-4-nitrohexa-2,4-dienyl]naphthalen-1-amine
CID 143268830
methyl N-methoxycarbonyl-N-naphthalen-1-ylcarbamate
CID 138084079
chloro(naphthalen-1-yl)carbamic acid;hydrochloride
CID 88734221
1-ethyl-1-naphthalen-1-ylhydrazine
CID 55252593

Frequently Asked Questions

What is the IUPAC name of azane;N-hydroxy-N-naphthalen-1-ylnitramide?
The IUPAC name of azane;N-hydroxy-N-naphthalen-1-ylnitramide (CID 174842769) is azane;N-hydroxy-N-naphthalen-1-ylnitramide.
What is the SMILES notation for azane;N-hydroxy-N-naphthalen-1-ylnitramide?
The canonical SMILES for azane;N-hydroxy-N-naphthalen-1-ylnitramide is N.O=[N+]([O-])N(O)c1cccc2ccccc12.
What is the InChIKey of azane;N-hydroxy-N-naphthalen-1-ylnitramide?
The InChIKey is ZYQISIRXUVPPFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N2O3.H3N/c13-11(12(14)15)10-7-3-5-8-4-1-2-6-9(8)10;/h1-7,13H;1H3.
What are the key properties of azane;N-hydroxy-N-naphthalen-1-ylnitramide?
azane;N-hydroxy-N-naphthalen-1-ylnitramide has a molecular weight of 221.22 g/mol, XLogP of 2.39, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for azane;N-hydroxy-N-naphthalen-1-ylnitramide is sourced from PubChem (CID 174842769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).