ethyl N-ethenoxycarbamate

C5H9NO3 — CID 57488502

IUPACethyl N-ethenoxycarbamate
SMILESC=CONC(=O)OCC
InChIInChI=1S/C5H9NO3/c1-3-8-5(7)6-9-4-2/h4H,2-3H2,1H3,(H,6,7)
InChIKeyHYXGDTMWOALQJL-UHFFFAOYSA-N
MW131.13 g/mol
LogP0.81
Rot. Bonds3

About ethyl N-ethenoxycarbamate

ethyl N-ethenoxycarbamate (PubChem CID 57488502) has the molecular formula C5H9NO3 and a molecular weight of 131.13 g/mol. Its IUPAC name is ethyl N-ethenoxycarbamate.

Molecular Properties

Compound Nameethyl N-ethenoxycarbamate
PubChem CID57488502
Molecular FormulaC5H9NO3
Molecular Weight131.13 g/mol
Exact Mass131.06
IUPAC Nameethyl N-ethenoxycarbamate
SMILESC=CONC(=O)OCC
InChIInChI=1S/C5H9NO3/c1-3-8-5(7)6-9-4-2/h4H,2-3H2,1H3,(H,6,7)
InChIKeyHYXGDTMWOALQJL-UHFFFAOYSA-N
XLogP0.81
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.13
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethyl N-ethenoxycarbamate?
The IUPAC name of ethyl N-ethenoxycarbamate (CID 57488502) is ethyl N-ethenoxycarbamate.
What is the SMILES notation for ethyl N-ethenoxycarbamate?
The canonical SMILES for ethyl N-ethenoxycarbamate is C=CONC(=O)OCC.
What is the InChIKey of ethyl N-ethenoxycarbamate?
The InChIKey is HYXGDTMWOALQJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9NO3/c1-3-8-5(7)6-9-4-2/h4H,2-3H2,1H3,(H,6,7).
What are the key properties of ethyl N-ethenoxycarbamate?
ethyl N-ethenoxycarbamate has a molecular weight of 131.13 g/mol, XLogP of 0.81, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-ethenoxycarbamate is sourced from PubChem (CID 57488502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).