ethenyl N-methoxycarbamate

C4H7NO3 — CID 59601717

IUPACethenyl N-methoxycarbamate
SMILESC=COC(=O)NOC
InChIInChI=1S/C4H7NO3/c1-3-8-4(6)5-7-2/h3H,1H2,2H3,(H,5,6)
InChIKeyHDRWIWVBNZVODR-UHFFFAOYSA-N
MW117.10 g/mol
LogP0.42
Rot. Bonds2

About ethenyl N-methoxycarbamate

ethenyl N-methoxycarbamate (PubChem CID 59601717) has the molecular formula C4H7NO3 and a molecular weight of 117.10 g/mol. Its IUPAC name is ethenyl N-methoxycarbamate.

Molecular Properties

Compound Nameethenyl N-methoxycarbamate
PubChem CID59601717
Molecular FormulaC4H7NO3
Molecular Weight117.10 g/mol
Exact Mass117.04
IUPAC Nameethenyl N-methoxycarbamate
SMILESC=COC(=O)NOC
InChIInChI=1S/C4H7NO3/c1-3-8-4(6)5-7-2/h3H,1H2,2H3,(H,5,6)
InChIKeyHDRWIWVBNZVODR-UHFFFAOYSA-N
XLogP0.42
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500117.10
LogP ≤ 50.42
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 ethenyl N-methoxycarbamate?
The IUPAC name of ethenyl N-methoxycarbamate (CID 59601717) is ethenyl N-methoxycarbamate.
What is the SMILES notation for ethenyl N-methoxycarbamate?
The canonical SMILES for ethenyl N-methoxycarbamate is C=COC(=O)NOC.
What is the InChIKey of ethenyl N-methoxycarbamate?
The InChIKey is HDRWIWVBNZVODR-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7NO3/c1-3-8-4(6)5-7-2/h3H,1H2,2H3,(H,5,6).
What are the key properties of ethenyl N-methoxycarbamate?
ethenyl N-methoxycarbamate has a molecular weight of 117.10 g/mol, XLogP of 0.42, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethenyl N-methoxycarbamate is sourced from PubChem (CID 59601717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).