ethyl nitrite

C2H5NO2 — CID 8026

IUPACethyl nitrite
SMILESCCON=O
InChIInChI=1S/C2H5NO2/c1-2-5-3-4/h2H2,1H3
InChIKeyQQZWEECEMNQSTG-UHFFFAOYSA-N
MW75.07 g/mol
LogP0.70
Rot. Bonds2

About ethyl nitrite

ethyl nitrite (PubChem CID 8026) has the molecular formula C2H5NO2 and a molecular weight of 75.07 g/mol. Its IUPAC name is ethyl nitrite.

Molecular Properties

Compound Nameethyl nitrite
PubChem CID8026
Molecular FormulaC2H5NO2
Molecular Weight75.07 g/mol
Exact Mass75.03
IUPAC Nameethyl nitrite
SMILESCCON=O
InChIInChI=1S/C2H5NO2/c1-2-5-3-4/h2H2,1H3
InChIKeyQQZWEECEMNQSTG-UHFFFAOYSA-N
XLogP0.70
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50075.07
LogP ≤ 50.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

ethyl nitrite;silver
CID 174852186
1-deuteriobutyl nitrite
CID 154638986
butyl nitrite;propyl nitrite
CID 88771471
2-aminobutyl nitrite
CID 87072378
(Z)-N-ethoxyethanimine
CID 5466565
2-N,3-N-diethoxybutane-2,3-diimine
CID 20677078
ethyl N-nitrosocarbamate
CID 19911416
ethyl 2-oxopropanoate;nitrous acid
CID 174912891
(2Z)-2-ethoxyiminopropanoic acid
CID 55298228
ethylamino nitrite
CID 22320949
ethyl (NE)-N-ethoxycarbonyliminocarbamate
CID 5462977
acetic acid;1,1-dibromo-N-ethoxymethanimine
CID 175187018

Frequently Asked Questions

What is the IUPAC name of ethyl nitrite?
The IUPAC name of ethyl nitrite (CID 8026) is ethyl nitrite.
What is the SMILES notation for ethyl nitrite?
The canonical SMILES for ethyl nitrite is CCON=O.
What is the InChIKey of ethyl nitrite?
The InChIKey is QQZWEECEMNQSTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H5NO2/c1-2-5-3-4/h2H2,1H3.
What are the key properties of ethyl nitrite?
ethyl nitrite has a molecular weight of 75.07 g/mol, XLogP of 0.70, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl nitrite is sourced from PubChem (CID 8026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).