(1-methoxy-2-oxoethyl)-dimethyl-prop-2-enylazanium chloride

C8H16ClNO2 — CID 88658219

IUPAC(1-methoxy-2-oxoethyl)-dimethyl-prop-2-enylazanium chloride
SMILESC=CC[N+](C)(C)C(C=O)OC.[Cl-]
InChIInChI=1S/C8H16NO2.ClH/c1-5-6-9(2,3)8(7-10)11-4;/h5,7-8H,1,6H2,2-4H3;1H/q+1;/p-1
InChIKeyLXWOBRMBZKYRIO-UHFFFAOYSA-M
MW193.67 g/mol
LogP-2.58
Rot. Bonds5

About (1-methoxy-2-oxoethyl)-dimethyl-prop-2-enylazanium chloride

(1-methoxy-2-oxoethyl)-dimethyl-prop-2-enylazanium chloride (PubChem CID 88658219) has the molecular formula C8H16ClNO2 and a molecular weight of 193.67 g/mol. Its IUPAC name is (1-methoxy-2-oxoethyl)-dimethyl-prop-2-enylazanium chloride.

Molecular Properties

Compound Name(1-methoxy-2-oxoethyl)-dimethyl-prop-2-enylazanium chloride
PubChem CID88658219
Molecular FormulaC8H16ClNO2
Molecular Weight193.67 g/mol
Exact Mass193.09
IUPAC Name(1-methoxy-2-oxoethyl)-dimethyl-prop-2-enylazanium chloride
SMILESC=CC[N+](C)(C)C(C=O)OC.[Cl-]
InChIInChI=1S/C8H16NO2.ClH/c1-5-6-9(2,3)8(7-10)11-4;/h5,7-8H,1,6H2,2-4H3;1H/q+1;/p-1
InChIKeyLXWOBRMBZKYRIO-UHFFFAOYSA-M
XLogP-2.58
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.67
LogP ≤ 5-2.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

1-hydroxyethyl-dimethyl-prop-2-enylazanium chloride
CID 21429944
dimethyl-bis(prop-2-enyl)azanium;polane;chloride
CID 173045035
dimethyl-bis(prop-2-enyl)azanium;chloride;hydrate
CID 141182046
dimethyl-pent-3-en-2-yl-prop-2-enylazanium chloride
CID 139964456
dimethyl-[1-(methylsulfamoyl)ethyl]-prop-2-enylazanium chloride
CID 174904695
methyl-tris(prop-2-enyl)azanium;chloride;hydrate
CID 139647541
dimethyl-bis(prop-2-enyl)azanium;prop-2-en-1-amine;chloride
CID 174192098
1-hydroxybutan-2-yl-dimethyl-prop-2-enylazanium;chloride;hydrate
CID 175241639
dimethyl-bis(prop-2-enyl)azanium nitrate
CID 19988438
sulfuric acid;trimethyl(prop-2-enyl)azanium;chloride
CID 175609144
trimethyl(prop-2-enyl)azanium;dihydrochloride
CID 174494481
methyl-tris(prop-2-enyl)azanium iodide
CID 14172654

Frequently Asked Questions

What is the IUPAC name of (1-methoxy-2-oxoethyl)-dimethyl-prop-2-enylazanium chloride?
The IUPAC name of (1-methoxy-2-oxoethyl)-dimethyl-prop-2-enylazanium chloride (CID 88658219) is (1-methoxy-2-oxoethyl)-dimethyl-prop-2-enylazanium chloride.
What is the SMILES notation for (1-methoxy-2-oxoethyl)-dimethyl-prop-2-enylazanium chloride?
The canonical SMILES for (1-methoxy-2-oxoethyl)-dimethyl-prop-2-enylazanium chloride is C=CC[N+](C)(C)C(C=O)OC.[Cl-].
What is the InChIKey of (1-methoxy-2-oxoethyl)-dimethyl-prop-2-enylazanium chloride?
The InChIKey is LXWOBRMBZKYRIO-UHFFFAOYSA-M. The full InChI is InChI=1S/C8H16NO2.ClH/c1-5-6-9(2,3)8(7-10)11-4;/h5,7-8H,1,6H2,2-4H3;1H/q+1;/p-1.
What are the key properties of (1-methoxy-2-oxoethyl)-dimethyl-prop-2-enylazanium chloride?
(1-methoxy-2-oxoethyl)-dimethyl-prop-2-enylazanium chloride has a molecular weight of 193.67 g/mol, XLogP of -2.58, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methoxy-2-oxoethyl)-dimethyl-prop-2-enylazanium chloride is sourced from PubChem (CID 88658219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).