tert-butyl N-[(E)-2-cyclohexylethenyl]carbamate

C13H23NO2 — CID 131233208

IUPACtert-butyl N-[(E)-2-cyclohexylethenyl]carbamate
SMILESCC(C)(C)OC(=O)N/C=C/C1CCCCC1
InChIInChI=1S/C13H23NO2/c1-13(2,3)16-12(15)14-10-9-11-7-5-4-6-8-11/h9-11H,4-8H2,1-3H3,(H,14,15)/b10-9+
InChIKeyXOCAWURVCRROKS-MDZDMXLPSA-N
MW225.33 g/mol
LogP3.61
Rot. Bonds2

About tert-butyl N-[(E)-2-cyclohexylethenyl]carbamate

tert-butyl N-[(E)-2-cyclohexylethenyl]carbamate (PubChem CID 131233208) has the molecular formula C13H23NO2 and a molecular weight of 225.33 g/mol. Its IUPAC name is tert-butyl N-[(E)-2-cyclohexylethenyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(E)-2-cyclohexylethenyl]carbamate
PubChem CID131233208
Molecular FormulaC13H23NO2
Molecular Weight225.33 g/mol
Exact Mass225.17
IUPAC Nametert-butyl N-[(E)-2-cyclohexylethenyl]carbamate
SMILESCC(C)(C)OC(=O)N/C=C/C1CCCCC1
InChIInChI=1S/C13H23NO2/c1-13(2,3)16-12(15)14-10-9-11-7-5-4-6-8-11/h9-11H,4-8H2,1-3H3,(H,14,15)/b10-9+
InChIKeyXOCAWURVCRROKS-MDZDMXLPSA-N
XLogP3.61
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.33
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(E)-2-cyclohexylethenyl]carbamate?
The IUPAC name of tert-butyl N-[(E)-2-cyclohexylethenyl]carbamate (CID 131233208) is tert-butyl N-[(E)-2-cyclohexylethenyl]carbamate.
What is the SMILES notation for tert-butyl N-[(E)-2-cyclohexylethenyl]carbamate?
The canonical SMILES for tert-butyl N-[(E)-2-cyclohexylethenyl]carbamate is CC(C)(C)OC(=O)N/C=C/C1CCCCC1.
What is the InChIKey of tert-butyl N-[(E)-2-cyclohexylethenyl]carbamate?
The InChIKey is XOCAWURVCRROKS-MDZDMXLPSA-N. The full InChI is InChI=1S/C13H23NO2/c1-13(2,3)16-12(15)14-10-9-11-7-5-4-6-8-11/h9-11H,4-8H2,1-3H3,(H,14,15)/b10-9+.
What are the key properties of tert-butyl N-[(E)-2-cyclohexylethenyl]carbamate?
tert-butyl N-[(E)-2-cyclohexylethenyl]carbamate has a molecular weight of 225.33 g/mol, XLogP of 3.61, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(E)-2-cyclohexylethenyl]carbamate is sourced from PubChem (CID 131233208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).