ethenyl N-propylcarbamate

C6H11NO2 — CID 54140582

IUPACethenyl N-propylcarbamate
SMILESC=COC(=O)NCCC
InChIInChI=1S/C6H11NO2/c1-3-5-7-6(8)9-4-2/h4H,2-3,5H2,1H3,(H,7,8)
InChIKeyOAUUVRKMMQNZNJ-UHFFFAOYSA-N
MW129.16 g/mol
LogP1.27
Rot. Bonds3

About ethenyl N-propylcarbamate

ethenyl N-propylcarbamate (PubChem CID 54140582) has the molecular formula C6H11NO2 and a molecular weight of 129.16 g/mol. Its IUPAC name is ethenyl N-propylcarbamate.

Molecular Properties

Compound Nameethenyl N-propylcarbamate
PubChem CID54140582
Molecular FormulaC6H11NO2
Molecular Weight129.16 g/mol
Exact Mass129.08
IUPAC Nameethenyl N-propylcarbamate
SMILESC=COC(=O)NCCC
InChIInChI=1S/C6H11NO2/c1-3-5-7-6(8)9-4-2/h4H,2-3,5H2,1H3,(H,7,8)
InChIKeyOAUUVRKMMQNZNJ-UHFFFAOYSA-N
XLogP1.27
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.16
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethenyl N-propylcarbamate?
The IUPAC name of ethenyl N-propylcarbamate (CID 54140582) is ethenyl N-propylcarbamate.
What is the SMILES notation for ethenyl N-propylcarbamate?
The canonical SMILES for ethenyl N-propylcarbamate is C=COC(=O)NCCC.
What is the InChIKey of ethenyl N-propylcarbamate?
The InChIKey is OAUUVRKMMQNZNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO2/c1-3-5-7-6(8)9-4-2/h4H,2-3,5H2,1H3,(H,7,8).
What are the key properties of ethenyl N-propylcarbamate?
ethenyl N-propylcarbamate has a molecular weight of 129.16 g/mol, XLogP of 1.27, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethenyl N-propylcarbamate is sourced from PubChem (CID 54140582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).