N-azido-1-oxomethanimine

CN4O — CID 91545615

IUPACN-azido-1-oxomethanimine
SMILES[N-]=[N+]=NN=C=O
InChIInChI=1S/CN4O/c2-4-5-3-1-6
InChIKeyRRLUJJJKORUBSJ-UHFFFAOYSA-N
MW84.04 g/mol
LogP0.55
Rot. Bonds1

About N-azido-1-oxomethanimine

N-azido-1-oxomethanimine (PubChem CID 91545615) has the molecular formula CN4O and a molecular weight of 84.04 g/mol. Its IUPAC name is N-azido-1-oxomethanimine.

Molecular Properties

Compound NameN-azido-1-oxomethanimine
PubChem CID91545615
Molecular FormulaCN4O
Molecular Weight84.04 g/mol
Exact Mass84.01
IUPAC NameN-azido-1-oxomethanimine
SMILES[N-]=[N+]=NN=C=O
InChIInChI=1S/CN4O/c2-4-5-3-1-6
InChIKeyRRLUJJJKORUBSJ-UHFFFAOYSA-N
XLogP0.55
TPSA78.19 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50084.04
LogP ≤ 50.55
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': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isocyanate', 'substructure': 'N/A'}

Analyze N-azido-1-oxomethanimine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(diazidohydrazinylidene)-oxomethane
CID 154281247
azido(isocyanato)methane
CID 19934317
argon;azane;carbon dioxide;nitrous oxide
CID 174833718
chloro-isocyanato-methylidene-oxo-λ6-sulfane
CID 155771839
(1E)-N-azidomethanimidoyl fluoride;fluoroethyne;methane
CID 172955686
sulfuryl diazide
CID 15191028
oxo(polanylimino)methane
CID 173033131
[azido(dimethyl)-λ4-selanyl]methane
CID 139265232
1,1-diazidoethane
CID 57220591
1,1-diisocyanatoethene;1,2,3,4,5,6-hexachlorocyclohexane
CID 87877113
CID 151884327
CID 151884327
Oxo(~15~N_2_)-1lambda~5~-diazyne
CID 12622056

Frequently Asked Questions

What is the IUPAC name of N-azido-1-oxomethanimine?
The IUPAC name of N-azido-1-oxomethanimine (CID 91545615) is N-azido-1-oxomethanimine.
What is the SMILES notation for N-azido-1-oxomethanimine?
The canonical SMILES for N-azido-1-oxomethanimine is [N-]=[N+]=NN=C=O.
What is the InChIKey of N-azido-1-oxomethanimine?
The InChIKey is RRLUJJJKORUBSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/CN4O/c2-4-5-3-1-6.
What are the key properties of N-azido-1-oxomethanimine?
N-azido-1-oxomethanimine has a molecular weight of 84.04 g/mol, XLogP of 0.55, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-azido-1-oxomethanimine is sourced from PubChem (CID 91545615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).