2-ethoxy-2-nitrosoacetonitrile

C4H6N2O2 — CID 123676333

IUPAC2-ethoxy-2-nitrosoacetonitrile
SMILESCCOC(C#N)N=O
InChIInChI=1S/C4H6N2O2/c1-2-8-4(3-5)6-7/h4H,2H2,1H3
InChIKeyCOHORSSMLHRLGD-UHFFFAOYSA-N
MW114.10 g/mol
LogP0.64
Rot. Bonds3

About 2-ethoxy-2-nitrosoacetonitrile

2-ethoxy-2-nitrosoacetonitrile (PubChem CID 123676333) has the molecular formula C4H6N2O2 and a molecular weight of 114.10 g/mol. Its IUPAC name is 2-ethoxy-2-nitrosoacetonitrile.

Molecular Properties

Compound Name2-ethoxy-2-nitrosoacetonitrile
PubChem CID123676333
Molecular FormulaC4H6N2O2
Molecular Weight114.10 g/mol
Exact Mass114.04
IUPAC Name2-ethoxy-2-nitrosoacetonitrile
SMILESCCOC(C#N)N=O
InChIInChI=1S/C4H6N2O2/c1-2-8-4(3-5)6-7/h4H,2H2,1H3
InChIKeyCOHORSSMLHRLGD-UHFFFAOYSA-N
XLogP0.64
TPSA62.45 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500114.10
LogP ≤ 50.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-ethoxy-3,3-dimethylbutanenitrile
CID 66073387
3,3-dibutoxy-2-nitrosopropanenitrile
CID 90934000
3-ethoxy-2-methylbutanenitrile
CID 14922695
diethoxymethylsilane;propane
CID 174925754
2-(2,2-diethoxyethyl)-4,4,4-trifluoro-3-oxobutanenitrile
CID 21459534
[cyano(ethoxy)methyl]-ethoxyphosphinic acid
CID 150135175
(2S)-5,5-diethoxy-2-propan-2-ylpentanenitrile
CID 95562319
N-tert-butyl-2-ethoxypropanimidoyl cyanide
CID 14203906
ethyl (2R)-2-cyano-4,4-diethoxybutanoate
CID 40640298
1-ethoxyethylcyanamide
CID 55286094
butan-2-yl 2-cyano-2-nitrosoacetate
CID 56623635
1-ethoxy-1-nitrosotetradecane
CID 174268617

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-2-nitrosoacetonitrile?
The IUPAC name of 2-ethoxy-2-nitrosoacetonitrile (CID 123676333) is 2-ethoxy-2-nitrosoacetonitrile.
What is the SMILES notation for 2-ethoxy-2-nitrosoacetonitrile?
The canonical SMILES for 2-ethoxy-2-nitrosoacetonitrile is CCOC(C#N)N=O.
What is the InChIKey of 2-ethoxy-2-nitrosoacetonitrile?
The InChIKey is COHORSSMLHRLGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6N2O2/c1-2-8-4(3-5)6-7/h4H,2H2,1H3.
What are the key properties of 2-ethoxy-2-nitrosoacetonitrile?
2-ethoxy-2-nitrosoacetonitrile has a molecular weight of 114.10 g/mol, XLogP of 0.64, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-2-nitrosoacetonitrile is sourced from PubChem (CID 123676333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).