(2-methoxy-2-oxoethyl)-methylidyneazanium

C4H6NO2+ — CID 6329008

IUPAC(2-methoxy-2-oxoethyl)-methylidyneazanium
SMILESC#[N+]CC(=O)OC
InChIInChI=1S/C4H6NO2/c1-5-3-4(6)7-2/h1H,3H2,2H3/q+1
InChIKeyGOYOBRBLPDRRML-UHFFFAOYSA-N
MW100.10 g/mol
LogP0.12
Rot. Bonds1

About (2-methoxy-2-oxoethyl)-methylidyneazanium

(2-methoxy-2-oxoethyl)-methylidyneazanium (PubChem CID 6329008) has the molecular formula C4H6NO2+ and a molecular weight of 100.10 g/mol. Its IUPAC name is (2-methoxy-2-oxoethyl)-methylidyneazanium.

Molecular Properties

Compound Name(2-methoxy-2-oxoethyl)-methylidyneazanium
PubChem CID6329008
Molecular FormulaC4H6NO2+
Molecular Weight100.10 g/mol
Exact Mass100.04
IUPAC Name(2-methoxy-2-oxoethyl)-methylidyneazanium
SMILESC#[N+]CC(=O)OC
InChIInChI=1S/C4H6NO2/c1-5-3-4(6)7-2/h1H,3H2,2H3/q+1
InChIKeyGOYOBRBLPDRRML-UHFFFAOYSA-N
XLogP0.12
TPSA30.66 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500100.10
LogP ≤ 50.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

CID 87726616
CID 87726616
methyl 3-methyliodanuidylpropanoate
CID 156903426
methane;methyl 3-hydroxypropanoate
CID 165023436
potassium;ethyl 2-isocyanoacetate;methyl 2-isocyanoacetate
CID 159260548
dimethyl oct-4-ynedioate
CID 10954517
diethyl propanedioate;3-O-ethyl 1-O-methyl propanedioate
CID 91497468
methyl 2-bromoacetate
CID 10487067
(2-methoxy-2-oxoethyl)phosphanium bromide
CID 44717091
CID 87773794
CID 87773794
methyl propanoate;dihydrochloride
CID 140968159
methyl 2-selanylacetate
CID 171384637
bromozinc(1+);methyl 3-methanidylbutanoate
CID 155743188

Frequently Asked Questions

What is the IUPAC name of (2-methoxy-2-oxoethyl)-methylidyneazanium?
The IUPAC name of (2-methoxy-2-oxoethyl)-methylidyneazanium (CID 6329008) is (2-methoxy-2-oxoethyl)-methylidyneazanium.
What is the SMILES notation for (2-methoxy-2-oxoethyl)-methylidyneazanium?
The canonical SMILES for (2-methoxy-2-oxoethyl)-methylidyneazanium is C#[N+]CC(=O)OC.
What is the InChIKey of (2-methoxy-2-oxoethyl)-methylidyneazanium?
The InChIKey is GOYOBRBLPDRRML-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6NO2/c1-5-3-4(6)7-2/h1H,3H2,2H3/q+1.
What are the key properties of (2-methoxy-2-oxoethyl)-methylidyneazanium?
(2-methoxy-2-oxoethyl)-methylidyneazanium has a molecular weight of 100.10 g/mol, XLogP of 0.12, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methoxy-2-oxoethyl)-methylidyneazanium is sourced from PubChem (CID 6329008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).