prop-2-enyl N-benzyl-N-ethylcarbamate

C13H17NO2 — CID 19771333

IUPACprop-2-enyl N-benzyl-N-ethylcarbamate
SMILESC=CCOC(=O)N(CC)Cc1ccccc1
InChIInChI=1S/C13H17NO2/c1-3-10-16-13(15)14(4-2)11-12-8-6-5-7-9-12/h3,5-9H,1,4,10-11H2,2H3
InChIKeyXPUZCFYCQGTHMM-UHFFFAOYSA-N
MW219.28 g/mol
LogP2.83
Rot. Bonds5

About prop-2-enyl N-benzyl-N-ethylcarbamate

prop-2-enyl N-benzyl-N-ethylcarbamate (PubChem CID 19771333) has the molecular formula C13H17NO2 and a molecular weight of 219.28 g/mol. Its IUPAC name is prop-2-enyl N-benzyl-N-ethylcarbamate.

Molecular Properties

Compound Nameprop-2-enyl N-benzyl-N-ethylcarbamate
PubChem CID19771333
Molecular FormulaC13H17NO2
Molecular Weight219.28 g/mol
Exact Mass219.13
IUPAC Nameprop-2-enyl N-benzyl-N-ethylcarbamate
SMILESC=CCOC(=O)N(CC)Cc1ccccc1
InChIInChI=1S/C13H17NO2/c1-3-10-16-13(15)14(4-2)11-12-8-6-5-7-9-12/h3,5-9H,1,4,10-11H2,2H3
InChIKeyXPUZCFYCQGTHMM-UHFFFAOYSA-N
XLogP2.83
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.28
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of prop-2-enyl N-benzyl-N-ethylcarbamate?
The IUPAC name of prop-2-enyl N-benzyl-N-ethylcarbamate (CID 19771333) is prop-2-enyl N-benzyl-N-ethylcarbamate.
What is the SMILES notation for prop-2-enyl N-benzyl-N-ethylcarbamate?
The canonical SMILES for prop-2-enyl N-benzyl-N-ethylcarbamate is C=CCOC(=O)N(CC)Cc1ccccc1.
What is the InChIKey of prop-2-enyl N-benzyl-N-ethylcarbamate?
The InChIKey is XPUZCFYCQGTHMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO2/c1-3-10-16-13(15)14(4-2)11-12-8-6-5-7-9-12/h3,5-9H,1,4,10-11H2,2H3.
What are the key properties of prop-2-enyl N-benzyl-N-ethylcarbamate?
prop-2-enyl N-benzyl-N-ethylcarbamate has a molecular weight of 219.28 g/mol, XLogP of 2.83, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enyl N-benzyl-N-ethylcarbamate is sourced from PubChem (CID 19771333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).