ethyl N-ethenyl-N-hydroxycarbamate

C5H9NO3 — CID 18415096

IUPACethyl N-ethenyl-N-hydroxycarbamate
SMILESC=CN(O)C(=O)OCC
InChIInChI=1S/C5H9NO3/c1-3-6(8)5(7)9-4-2/h3,8H,1,4H2,2H3
InChIKeyYPINKDVNGHJTHL-UHFFFAOYSA-N
MW131.13 g/mol
LogP0.98
Rot. Bonds2

About ethyl N-ethenyl-N-hydroxycarbamate

ethyl N-ethenyl-N-hydroxycarbamate (PubChem CID 18415096) has the molecular formula C5H9NO3 and a molecular weight of 131.13 g/mol. Its IUPAC name is ethyl N-ethenyl-N-hydroxycarbamate.

Molecular Properties

Compound Nameethyl N-ethenyl-N-hydroxycarbamate
PubChem CID18415096
Molecular FormulaC5H9NO3
Molecular Weight131.13 g/mol
Exact Mass131.06
IUPAC Nameethyl N-ethenyl-N-hydroxycarbamate
SMILESC=CN(O)C(=O)OCC
InChIInChI=1S/C5H9NO3/c1-3-6(8)5(7)9-4-2/h3,8H,1,4H2,2H3
InChIKeyYPINKDVNGHJTHL-UHFFFAOYSA-N
XLogP0.98
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.13
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', '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-ethenyl-N-hydroxycarbamate?
The IUPAC name of ethyl N-ethenyl-N-hydroxycarbamate (CID 18415096) is ethyl N-ethenyl-N-hydroxycarbamate.
What is the SMILES notation for ethyl N-ethenyl-N-hydroxycarbamate?
The canonical SMILES for ethyl N-ethenyl-N-hydroxycarbamate is C=CN(O)C(=O)OCC.
What is the InChIKey of ethyl N-ethenyl-N-hydroxycarbamate?
The InChIKey is YPINKDVNGHJTHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9NO3/c1-3-6(8)5(7)9-4-2/h3,8H,1,4H2,2H3.
What are the key properties of ethyl N-ethenyl-N-hydroxycarbamate?
ethyl N-ethenyl-N-hydroxycarbamate has a molecular weight of 131.13 g/mol, XLogP of 0.98, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-ethenyl-N-hydroxycarbamate is sourced from PubChem (CID 18415096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).