azane;ethyl nitrite

C2H8N2O2 — CID 22320950

IUPACazane;ethyl nitrite
SMILESCCON=O.N
InChIInChI=1S/C2H5NO2.H3N/c1-2-5-3-4;/h2H2,1H3;1H3
InChIKeySQSMSZSHDRECFT-UHFFFAOYSA-N
MW92.10 g/mol
LogP0.87
Rot. Bonds2

About azane;ethyl nitrite

azane;ethyl nitrite (PubChem CID 22320950) has the molecular formula C2H8N2O2 and a molecular weight of 92.10 g/mol. Its IUPAC name is azane;ethyl nitrite.

Molecular Properties

Compound Nameazane;ethyl nitrite
PubChem CID22320950
Molecular FormulaC2H8N2O2
Molecular Weight92.10 g/mol
Exact Mass92.06
IUPAC Nameazane;ethyl nitrite
SMILESCCON=O.N
InChIInChI=1S/C2H5NO2.H3N/c1-2-5-3-4;/h2H2,1H3;1H3
InChIKeySQSMSZSHDRECFT-UHFFFAOYSA-N
XLogP0.87
TPSA73.66 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50092.10
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of azane;ethyl nitrite?
The IUPAC name of azane;ethyl nitrite (CID 22320950) is azane;ethyl nitrite.
What is the SMILES notation for azane;ethyl nitrite?
The canonical SMILES for azane;ethyl nitrite is CCON=O.N.
What is the InChIKey of azane;ethyl nitrite?
The InChIKey is SQSMSZSHDRECFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H5NO2.H3N/c1-2-5-3-4;/h2H2,1H3;1H3.
What are the key properties of azane;ethyl nitrite?
azane;ethyl nitrite has a molecular weight of 92.10 g/mol, XLogP of 0.87, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for azane;ethyl nitrite is sourced from PubChem (CID 22320950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).