methyl N-ethenyl-N-methylcarbamate

C5H9NO2 — CID 18533377

IUPACmethyl N-ethenyl-N-methylcarbamate
SMILESC=CN(C)C(=O)OC
InChIInChI=1S/C5H9NO2/c1-4-6(2)5(7)8-3/h4H,1H2,2-3H3
InChIKeyVRGCQWGQOKEYCQ-UHFFFAOYSA-N
MW115.13 g/mol
LogP0.83
Rot. Bonds1

About methyl N-ethenyl-N-methylcarbamate

methyl N-ethenyl-N-methylcarbamate (PubChem CID 18533377) has the molecular formula C5H9NO2 and a molecular weight of 115.13 g/mol. Its IUPAC name is methyl N-ethenyl-N-methylcarbamate.

Molecular Properties

Compound Namemethyl N-ethenyl-N-methylcarbamate
PubChem CID18533377
Molecular FormulaC5H9NO2
Molecular Weight115.13 g/mol
Exact Mass115.06
IUPAC Namemethyl N-ethenyl-N-methylcarbamate
SMILESC=CN(C)C(=O)OC
InChIInChI=1S/C5H9NO2/c1-4-6(2)5(7)8-3/h4H,1H2,2-3H3
InChIKeyVRGCQWGQOKEYCQ-UHFFFAOYSA-N
XLogP0.83
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500115.13
LogP ≤ 50.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze methyl N-ethenyl-N-methylcarbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl N-ethenyl-N-methylcarbamate?
The IUPAC name of methyl N-ethenyl-N-methylcarbamate (CID 18533377) is methyl N-ethenyl-N-methylcarbamate.
What is the SMILES notation for methyl N-ethenyl-N-methylcarbamate?
The canonical SMILES for methyl N-ethenyl-N-methylcarbamate is C=CN(C)C(=O)OC.
What is the InChIKey of methyl N-ethenyl-N-methylcarbamate?
The InChIKey is VRGCQWGQOKEYCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9NO2/c1-4-6(2)5(7)8-3/h4H,1H2,2-3H3.
What are the key properties of methyl N-ethenyl-N-methylcarbamate?
methyl N-ethenyl-N-methylcarbamate has a molecular weight of 115.13 g/mol, XLogP of 0.83, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-ethenyl-N-methylcarbamate is sourced from PubChem (CID 18533377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).