N-nitrosoethanimine oxide

C2H4N2O2 — CID 173221529

IUPACN-nitrosoethanimine oxide
SMILESC/C=[N+](\[O-])N=O
InChIInChI=1S/C2H4N2O2/c1-2-4(6)3-5/h2H,1H3/b4-2-
InChIKeyUZSRXOGBGOJAJA-RQOWECAXSA-N
MW88.07 g/mol
LogP0.27
Rot. Bonds1

About N-nitrosoethanimine oxide

N-nitrosoethanimine oxide (PubChem CID 173221529) has the molecular formula C2H4N2O2 and a molecular weight of 88.07 g/mol. Its IUPAC name is N-nitrosoethanimine oxide.

Molecular Properties

Compound NameN-nitrosoethanimine oxide
PubChem CID173221529
Molecular FormulaC2H4N2O2
Molecular Weight88.07 g/mol
Exact Mass88.03
IUPAC NameN-nitrosoethanimine oxide
SMILESC/C=[N+](\[O-])N=O
InChIInChI=1S/C2H4N2O2/c1-2-4(6)3-5/h2H,1H3/b4-2-
InChIKeyUZSRXOGBGOJAJA-RQOWECAXSA-N
XLogP0.27
TPSA55.50 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50088.07
LogP ≤ 50.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'N-nitroso', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

N-hydroxyethanimine oxide
CID 6852034
disodium;N-oxonitramide
CID 10129945
(NE)-N-ethylidenenitramide
CID 144965616
nitrate nitrite
CID 22182872
palladium(2+) nitrate
CID 15793330
(Z)-2-nitrobut-2-en-1-amine
CID 102061295
ruthenium(2+);nitrate;nitrite
CID 175288692
acetaldehyde;nitrous acid
CID 174522252
azanide;palladium(2+);dinitrate
CID 91997208
N-(1-amino-1-oxopropan-2-yl)ethanimine oxide
CID 134986215
bis(ethane-1,2-diamine);palladium(2+);dinitrite
CID 119057726
dysprosium;dinitrate;nitrite;hexahydrate
CID 174912921

Frequently Asked Questions

What is the IUPAC name of N-nitrosoethanimine oxide?
The IUPAC name of N-nitrosoethanimine oxide (CID 173221529) is N-nitrosoethanimine oxide.
What is the SMILES notation for N-nitrosoethanimine oxide?
The canonical SMILES for N-nitrosoethanimine oxide is C/C=[N+](\[O-])N=O.
What is the InChIKey of N-nitrosoethanimine oxide?
The InChIKey is UZSRXOGBGOJAJA-RQOWECAXSA-N. The full InChI is InChI=1S/C2H4N2O2/c1-2-4(6)3-5/h2H,1H3/b4-2-.
What are the key properties of N-nitrosoethanimine oxide?
N-nitrosoethanimine oxide has a molecular weight of 88.07 g/mol, XLogP of 0.27, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-nitrosoethanimine oxide is sourced from PubChem (CID 173221529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).