tert-butyl N-(2-oxocyclohexyl)carbamate

C11H19NO3 — CID 5075026

IUPACtert-butyl N-(2-oxocyclohexyl)carbamate
SMILESCC(C)(C)OC(=O)NC1CCCCC1=O
InChIInChI=1S/C11H19NO3/c1-11(2,3)15-10(14)12-8-6-4-5-7-9(8)13/h8H,4-7H2,1-3H3,(H,12,14)
InChIKeyGHIGUHHFUUAJJN-UHFFFAOYSA-N
MW213.28 g/mol
LogP2.02
Rot. Bonds1

About tert-butyl N-(2-oxocyclohexyl)carbamate

tert-butyl N-(2-oxocyclohexyl)carbamate (PubChem CID 5075026) has the molecular formula C11H19NO3 and a molecular weight of 213.28 g/mol. Its IUPAC name is tert-butyl N-(2-oxocyclohexyl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(2-oxocyclohexyl)carbamate
PubChem CID5075026
Molecular FormulaC11H19NO3
Molecular Weight213.28 g/mol
Exact Mass213.14
IUPAC Nametert-butyl N-(2-oxocyclohexyl)carbamate
SMILESCC(C)(C)OC(=O)NC1CCCCC1=O
InChIInChI=1S/C11H19NO3/c1-11(2,3)15-10(14)12-8-6-4-5-7-9(8)13/h8H,4-7H2,1-3H3,(H,12,14)
InChIKeyGHIGUHHFUUAJJN-UHFFFAOYSA-N
XLogP2.02
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(2-oxocyclohexyl)carbamate?
The IUPAC name of tert-butyl N-(2-oxocyclohexyl)carbamate (CID 5075026) is tert-butyl N-(2-oxocyclohexyl)carbamate.
What is the SMILES notation for tert-butyl N-(2-oxocyclohexyl)carbamate?
The canonical SMILES for tert-butyl N-(2-oxocyclohexyl)carbamate is CC(C)(C)OC(=O)NC1CCCCC1=O.
What is the InChIKey of tert-butyl N-(2-oxocyclohexyl)carbamate?
The InChIKey is GHIGUHHFUUAJJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO3/c1-11(2,3)15-10(14)12-8-6-4-5-7-9(8)13/h8H,4-7H2,1-3H3,(H,12,14).
What are the key properties of tert-butyl N-(2-oxocyclohexyl)carbamate?
tert-butyl N-(2-oxocyclohexyl)carbamate has a molecular weight of 213.28 g/mol, XLogP of 2.02, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(2-oxocyclohexyl)carbamate is sourced from PubChem (CID 5075026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).