ethyl nitrite

C4H10N2O4 — CID 87816665

IUPACethyl nitrite
SMILESCCON=O.CCON=O
InChIInChI=1S/2C2H5NO2/c2*1-2-5-3-4/h2*2H2,1H3
InChIKeyNXIYANMTXUNCTO-UHFFFAOYSA-N
MW150.13 g/mol
LogP1.41
Rot. Bonds4

About ethyl nitrite

ethyl nitrite (PubChem CID 87816665) has the molecular formula C4H10N2O4 and a molecular weight of 150.13 g/mol. Its IUPAC name is ethyl nitrite.

Molecular Properties

Compound Nameethyl nitrite
PubChem CID87816665
Molecular FormulaC4H10N2O4
Molecular Weight150.13 g/mol
Exact Mass150.06
IUPAC Nameethyl nitrite
SMILESCCON=O.CCON=O
InChIInChI=1S/2C2H5NO2/c2*1-2-5-3-4/h2*2H2,1H3
InChIKeyNXIYANMTXUNCTO-UHFFFAOYSA-N
XLogP1.41
TPSA77.32 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.13
LogP ≤ 51.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

Diethoxy(oxo)azanium
CID 3366095
Oxo(dipropoxy)azanium
CID 57000422
Ethyl nitrate;methyl nitrate
CID 21069616
Azane;ethyl nitrite
CID 22320950
Methyl nitrate;propyl nitrate
CID 22715342
Azane;ethyl nitrate
CID 87214856
Azane;diethoxy(oxo)azanium
CID 87214857
Butyl nitrite;nitrous acid
CID 87733627
Diethoxy(oxo)azanium;dimethoxy(oxo)azanium
CID 87835191
Ethanol;ethyl nitrate;nitric acid
CID 87921917
Diethoxy(oxo)azanium nitrate
CID 87921918
Butane;2-nitrooxyethyl nitrate
CID 88087119

Frequently Asked Questions

What is the IUPAC name of ethyl nitrite?
The IUPAC name of ethyl nitrite (CID 87816665) is ethyl nitrite.
What is the SMILES notation for ethyl nitrite?
The canonical SMILES for ethyl nitrite is CCON=O.CCON=O.
What is the InChIKey of ethyl nitrite?
The InChIKey is NXIYANMTXUNCTO-UHFFFAOYSA-N. The full InChI is InChI=1S/2C2H5NO2/c2*1-2-5-3-4/h2*2H2,1H3.
What are the key properties of ethyl nitrite?
ethyl nitrite has a molecular weight of 150.13 g/mol, XLogP of 1.41, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl nitrite is sourced from PubChem (CID 87816665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).