tert-butyl N-(4-oxocyclohex-2-en-1-yl)carbamate

C11H17NO3 — CID 45092111

IUPACtert-butyl N-(4-oxocyclohex-2-en-1-yl)carbamate
SMILESCC(C)(C)OC(=O)NC1C=CC(=O)CC1
InChIInChI=1S/C11H17NO3/c1-11(2,3)15-10(14)12-8-4-6-9(13)7-5-8/h4,6,8H,5,7H2,1-3H3,(H,12,14)
InChIKeyQGAMBGGFAOFTCM-UHFFFAOYSA-N
MW211.26 g/mol
LogP1.80
Rot. Bonds1

About tert-butyl N-(4-oxocyclohex-2-en-1-yl)carbamate

tert-butyl N-(4-oxocyclohex-2-en-1-yl)carbamate (PubChem CID 45092111) has the molecular formula C11H17NO3 and a molecular weight of 211.26 g/mol. Its IUPAC name is tert-butyl N-(4-oxocyclohex-2-en-1-yl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(4-oxocyclohex-2-en-1-yl)carbamate
PubChem CID45092111
Molecular FormulaC11H17NO3
Molecular Weight211.26 g/mol
Exact Mass211.12
IUPAC Nametert-butyl N-(4-oxocyclohex-2-en-1-yl)carbamate
SMILESCC(C)(C)OC(=O)NC1C=CC(=O)CC1
InChIInChI=1S/C11H17NO3/c1-11(2,3)15-10(14)12-8-4-6-9(13)7-5-8/h4,6,8H,5,7H2,1-3H3,(H,12,14)
InChIKeyQGAMBGGFAOFTCM-UHFFFAOYSA-N
XLogP1.80
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(4-oxocyclohex-2-en-1-yl)carbamate?
The IUPAC name of tert-butyl N-(4-oxocyclohex-2-en-1-yl)carbamate (CID 45092111) is tert-butyl N-(4-oxocyclohex-2-en-1-yl)carbamate.
What is the SMILES notation for tert-butyl N-(4-oxocyclohex-2-en-1-yl)carbamate?
The canonical SMILES for tert-butyl N-(4-oxocyclohex-2-en-1-yl)carbamate is CC(C)(C)OC(=O)NC1C=CC(=O)CC1.
What is the InChIKey of tert-butyl N-(4-oxocyclohex-2-en-1-yl)carbamate?
The InChIKey is QGAMBGGFAOFTCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO3/c1-11(2,3)15-10(14)12-8-4-6-9(13)7-5-8/h4,6,8H,5,7H2,1-3H3,(H,12,14).
What are the key properties of tert-butyl N-(4-oxocyclohex-2-en-1-yl)carbamate?
tert-butyl N-(4-oxocyclohex-2-en-1-yl)carbamate has a molecular weight of 211.26 g/mol, XLogP of 1.80, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(4-oxocyclohex-2-en-1-yl)carbamate is sourced from PubChem (CID 45092111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).