benzoyl azide;(NE)-N-ethylidenehydroxylamine

C9H10N4O2 — CID 135184096

IUPACbenzoyl azide;(NE)-N-ethylidenehydroxylamine
SMILESC/C=N/O.[N-]=[N+]=NC(=O)c1ccccc1
InChIInChI=1S/C7H5N3O.C2H5NO/c8-10-9-7(11)6-4-2-1-3-5-6;1-2-3-4/h1-5H;2,4H,1H3/b;3-2+
InChIKeyHICHDWJFRXSFAM-ZPYUXNTASA-N
MW206.21 g/mol
LogP2.60
Rot. Bonds1

About benzoyl azide;(NE)-N-ethylidenehydroxylamine

benzoyl azide;(NE)-N-ethylidenehydroxylamine (PubChem CID 135184096) has the molecular formula C9H10N4O2 and a molecular weight of 206.21 g/mol. Its IUPAC name is benzoyl azide;(NE)-N-ethylidenehydroxylamine.

Molecular Properties

Compound Namebenzoyl azide;(NE)-N-ethylidenehydroxylamine
PubChem CID135184096
Molecular FormulaC9H10N4O2
Molecular Weight206.21 g/mol
Exact Mass206.08
IUPAC Namebenzoyl azide;(NE)-N-ethylidenehydroxylamine
SMILESC/C=N/O.[N-]=[N+]=NC(=O)c1ccccc1
InChIInChI=1S/C7H5N3O.C2H5NO/c8-10-9-7(11)6-4-2-1-3-5-6;1-2-3-4/h1-5H;2,4H,1H3/b;3-2+
InChIKeyHICHDWJFRXSFAM-ZPYUXNTASA-N
XLogP2.60
TPSA98.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.21
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}

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Related Compounds

benzoyl azide;hydrochloride
CID 174620684
4-(4-carbonazidoylphenyl)benzoyl azide
CID 101036064
3-fluorobenzoyl azide
CID 12613734
3-phenylbenzoic acid;3-phenylbenzoyl azide
CID 160691577
2-oxo-2-phenylacetyl azide
CID 54447915
4-ethylbenzoyl azide
CID 43307154
anthracene-2-carbonyl azide
CID 102488485
4-(methylaminosulfanyl)benzoyl azide
CID 169189363
benzoyl azide;4-(sulfinatoamino)-2H-triazole
CID 174803353
4-(2-cyanoacetyl)benzoyl azide
CID 143581887
(2E,4Z)-4,5-diphenylpenta-2,4-dienoyl azide
CID 56927308
3-bromo-4-methylbenzoyl azide
CID 81472134

Frequently Asked Questions

What is the IUPAC name of benzoyl azide;(NE)-N-ethylidenehydroxylamine?
The IUPAC name of benzoyl azide;(NE)-N-ethylidenehydroxylamine (CID 135184096) is benzoyl azide;(NE)-N-ethylidenehydroxylamine.
What is the SMILES notation for benzoyl azide;(NE)-N-ethylidenehydroxylamine?
The canonical SMILES for benzoyl azide;(NE)-N-ethylidenehydroxylamine is C/C=N/O.[N-]=[N+]=NC(=O)c1ccccc1.
What is the InChIKey of benzoyl azide;(NE)-N-ethylidenehydroxylamine?
The InChIKey is HICHDWJFRXSFAM-ZPYUXNTASA-N. The full InChI is InChI=1S/C7H5N3O.C2H5NO/c8-10-9-7(11)6-4-2-1-3-5-6;1-2-3-4/h1-5H;2,4H,1H3/b;3-2+.
What are the key properties of benzoyl azide;(NE)-N-ethylidenehydroxylamine?
benzoyl azide;(NE)-N-ethylidenehydroxylamine has a molecular weight of 206.21 g/mol, XLogP of 2.60, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzoyl azide;(NE)-N-ethylidenehydroxylamine is sourced from PubChem (CID 135184096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).