tert-butyl N-(1-cyano-4-ethenylcyclohexyl)-N-methylcarbamate

C15H24N2O2 — CID 91271474

IUPACtert-butyl N-(1-cyano-4-ethenylcyclohexyl)-N-methylcarbamate
SMILESC=CC1CCC(C#N)(N(C)C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C15H24N2O2/c1-6-12-7-9-15(11-16,10-8-12)17(5)13(18)19-14(2,3)4/h6,12H,1,7-10H2,2-5H3
InChIKeyGVIFEHSVQWMITJ-UHFFFAOYSA-N
MW264.37 g/mol
LogP3.49
Rot. Bonds2

About tert-butyl N-(1-cyano-4-ethenylcyclohexyl)-N-methylcarbamate

tert-butyl N-(1-cyano-4-ethenylcyclohexyl)-N-methylcarbamate (PubChem CID 91271474) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is tert-butyl N-(1-cyano-4-ethenylcyclohexyl)-N-methylcarbamate.

Molecular Properties

Compound Nametert-butyl N-(1-cyano-4-ethenylcyclohexyl)-N-methylcarbamate
PubChem CID91271474
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC Nametert-butyl N-(1-cyano-4-ethenylcyclohexyl)-N-methylcarbamate
SMILESC=CC1CCC(C#N)(N(C)C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C15H24N2O2/c1-6-12-7-9-15(11-16,10-8-12)17(5)13(18)19-14(2,3)4/h6,12H,1,7-10H2,2-5H3
InChIKeyGVIFEHSVQWMITJ-UHFFFAOYSA-N
XLogP3.49
TPSA53.33 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-(1-cyano-4-ethenylcyclohexyl)-N-methylcarbamate?
The IUPAC name of tert-butyl N-(1-cyano-4-ethenylcyclohexyl)-N-methylcarbamate (CID 91271474) is tert-butyl N-(1-cyano-4-ethenylcyclohexyl)-N-methylcarbamate.
What is the SMILES notation for tert-butyl N-(1-cyano-4-ethenylcyclohexyl)-N-methylcarbamate?
The canonical SMILES for tert-butyl N-(1-cyano-4-ethenylcyclohexyl)-N-methylcarbamate is C=CC1CCC(C#N)(N(C)C(=O)OC(C)(C)C)CC1.
What is the InChIKey of tert-butyl N-(1-cyano-4-ethenylcyclohexyl)-N-methylcarbamate?
The InChIKey is GVIFEHSVQWMITJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-6-12-7-9-15(11-16,10-8-12)17(5)13(18)19-14(2,3)4/h6,12H,1,7-10H2,2-5H3.
What are the key properties of tert-butyl N-(1-cyano-4-ethenylcyclohexyl)-N-methylcarbamate?
tert-butyl N-(1-cyano-4-ethenylcyclohexyl)-N-methylcarbamate has a molecular weight of 264.37 g/mol, XLogP of 3.49, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(1-cyano-4-ethenylcyclohexyl)-N-methylcarbamate is sourced from PubChem (CID 91271474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).