tert-butyl N-cyclohex-3-en-1-yl-N-ethylcarbamate

C13H23NO2 — CID 66707577

IUPACtert-butyl N-cyclohex-3-en-1-yl-N-ethylcarbamate
SMILESCCN(C(=O)OC(C)(C)C)C1CC=CCC1
InChIInChI=1S/C13H23NO2/c1-5-14(11-9-7-6-8-10-11)12(15)16-13(2,3)4/h6-7,11H,5,8-10H2,1-4H3
InChIKeyVQYGENJPQOKUJR-UHFFFAOYSA-N
MW225.33 g/mol
LogP3.35
Rot. Bonds2

About tert-butyl N-cyclohex-3-en-1-yl-N-ethylcarbamate

tert-butyl N-cyclohex-3-en-1-yl-N-ethylcarbamate (PubChem CID 66707577) has the molecular formula C13H23NO2 and a molecular weight of 225.33 g/mol. Its IUPAC name is tert-butyl N-cyclohex-3-en-1-yl-N-ethylcarbamate.

Molecular Properties

Compound Nametert-butyl N-cyclohex-3-en-1-yl-N-ethylcarbamate
PubChem CID66707577
Molecular FormulaC13H23NO2
Molecular Weight225.33 g/mol
Exact Mass225.17
IUPAC Nametert-butyl N-cyclohex-3-en-1-yl-N-ethylcarbamate
SMILESCCN(C(=O)OC(C)(C)C)C1CC=CCC1
InChIInChI=1S/C13H23NO2/c1-5-14(11-9-7-6-8-10-11)12(15)16-13(2,3)4/h6-7,11H,5,8-10H2,1-4H3
InChIKeyVQYGENJPQOKUJR-UHFFFAOYSA-N
XLogP3.35
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.33
LogP ≤ 53.35
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 tert-butyl N-cyclohex-3-en-1-yl-N-ethylcarbamate?
The IUPAC name of tert-butyl N-cyclohex-3-en-1-yl-N-ethylcarbamate (CID 66707577) is tert-butyl N-cyclohex-3-en-1-yl-N-ethylcarbamate.
What is the SMILES notation for tert-butyl N-cyclohex-3-en-1-yl-N-ethylcarbamate?
The canonical SMILES for tert-butyl N-cyclohex-3-en-1-yl-N-ethylcarbamate is CCN(C(=O)OC(C)(C)C)C1CC=CCC1.
What is the InChIKey of tert-butyl N-cyclohex-3-en-1-yl-N-ethylcarbamate?
The InChIKey is VQYGENJPQOKUJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO2/c1-5-14(11-9-7-6-8-10-11)12(15)16-13(2,3)4/h6-7,11H,5,8-10H2,1-4H3.
What are the key properties of tert-butyl N-cyclohex-3-en-1-yl-N-ethylcarbamate?
tert-butyl N-cyclohex-3-en-1-yl-N-ethylcarbamate has a molecular weight of 225.33 g/mol, XLogP of 3.35, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-cyclohex-3-en-1-yl-N-ethylcarbamate is sourced from PubChem (CID 66707577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).