ethyl N-ethenylcarbamate

C5H9NO2 — CID 11469061

IUPACethyl N-ethenylcarbamate
SMILESC=CNC(=O)OCC
InChIInChI=1S/C5H9NO2/c1-3-6-5(7)8-4-2/h3H,1,4H2,2H3,(H,6,7)
InChIKeyHNPDNOZNULJJDL-UHFFFAOYSA-N
MW115.13 g/mol
LogP0.88
Rot. Bonds2

About ethyl N-ethenylcarbamate

ethyl N-ethenylcarbamate (PubChem CID 11469061) has the molecular formula C5H9NO2 and a molecular weight of 115.13 g/mol. Its IUPAC name is ethyl N-ethenylcarbamate.

Molecular Properties

Compound Nameethyl N-ethenylcarbamate
PubChem CID11469061
Molecular FormulaC5H9NO2
Molecular Weight115.13 g/mol
Exact Mass115.06
IUPAC Nameethyl N-ethenylcarbamate
SMILESC=CNC(=O)OCC
InChIInChI=1S/C5H9NO2/c1-3-6-5(7)8-4-2/h3H,1,4H2,2H3,(H,6,7)
InChIKeyHNPDNOZNULJJDL-UHFFFAOYSA-N
XLogP0.88
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500115.13
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethyl N-ethenylcarbamate?
The IUPAC name of ethyl N-ethenylcarbamate (CID 11469061) is ethyl N-ethenylcarbamate.
What is the SMILES notation for ethyl N-ethenylcarbamate?
The canonical SMILES for ethyl N-ethenylcarbamate is C=CNC(=O)OCC.
What is the InChIKey of ethyl N-ethenylcarbamate?
The InChIKey is HNPDNOZNULJJDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9NO2/c1-3-6-5(7)8-4-2/h3H,1,4H2,2H3,(H,6,7).
What are the key properties of ethyl N-ethenylcarbamate?
ethyl N-ethenylcarbamate has a molecular weight of 115.13 g/mol, XLogP of 0.88, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-ethenylcarbamate is sourced from PubChem (CID 11469061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).