ethenyl-ethoxycarbonyl-ethyl-methylazanium

C8H16NO2+ — CID 54155149

IUPACethenyl-ethoxycarbonyl-ethyl-methylazanium
SMILESC=C[N+](C)(CC)C(=O)OCC
InChIInChI=1S/C8H16NO2/c1-5-9(4,6-2)8(10)11-7-3/h5H,1,6-7H2,2-4H3/q+1
InChIKeySWMJFSZVDBNCSN-UHFFFAOYSA-N
MW158.22 g/mol
LogP1.75
Rot. Bonds3

About ethenyl-ethoxycarbonyl-ethyl-methylazanium

ethenyl-ethoxycarbonyl-ethyl-methylazanium (PubChem CID 54155149) has the molecular formula C8H16NO2+ and a molecular weight of 158.22 g/mol. Its IUPAC name is ethenyl-ethoxycarbonyl-ethyl-methylazanium.

Molecular Properties

Compound Nameethenyl-ethoxycarbonyl-ethyl-methylazanium
PubChem CID54155149
Molecular FormulaC8H16NO2+
Molecular Weight158.22 g/mol
Exact Mass158.12
IUPAC Nameethenyl-ethoxycarbonyl-ethyl-methylazanium
SMILESC=C[N+](C)(CC)C(=O)OCC
InChIInChI=1S/C8H16NO2/c1-5-9(4,6-2)8(10)11-7-3/h5H,1,6-7H2,2-4H3/q+1
InChIKeySWMJFSZVDBNCSN-UHFFFAOYSA-N
XLogP1.75
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.22
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

3-Ethyl-2,3-dihydro-1,3-oxazol-2-one
CID 13514194
methyl N-ethenyl-N-ethylcarbamate
CID 18533376
butan-2-yl N-ethenyl-N-methylcarbamate
CID 19746872
ethyl N-ethenyl-N-methylcarbamate
CID 19875125
Divinyl urethane
CID 22923006
ethyl N-ethenyl-N-ethylcarbamate
CID 23189649
ethyl N-ethenyl-N-formylcarbamate
CID 54277499
Ethane;3-methyl-1,3-oxazol-2-one
CID 91009733
tert-butyl N-ethenyl-N-ethylcarbamate
CID 123719357
ethyl 2H-1,3-oxazole-3-carboxylate
CID 140984935
Ethyl 1,4-oxazine-4-carboxylate
CID 141135920
ethyl N-propan-2-yl-N-prop-1-enylcarbamate
CID 141403308

Frequently Asked Questions

What is the IUPAC name of ethenyl-ethoxycarbonyl-ethyl-methylazanium?
The IUPAC name of ethenyl-ethoxycarbonyl-ethyl-methylazanium (CID 54155149) is ethenyl-ethoxycarbonyl-ethyl-methylazanium.
What is the SMILES notation for ethenyl-ethoxycarbonyl-ethyl-methylazanium?
The canonical SMILES for ethenyl-ethoxycarbonyl-ethyl-methylazanium is C=C[N+](C)(CC)C(=O)OCC.
What is the InChIKey of ethenyl-ethoxycarbonyl-ethyl-methylazanium?
The InChIKey is SWMJFSZVDBNCSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16NO2/c1-5-9(4,6-2)8(10)11-7-3/h5H,1,6-7H2,2-4H3/q+1.
What are the key properties of ethenyl-ethoxycarbonyl-ethyl-methylazanium?
ethenyl-ethoxycarbonyl-ethyl-methylazanium has a molecular weight of 158.22 g/mol, XLogP of 1.75, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethenyl-ethoxycarbonyl-ethyl-methylazanium is sourced from PubChem (CID 54155149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).