tert-butyl N-(4-ethoxycyclohex-3-en-1-yl)carbamate

C13H23NO3 — CID 91113406

IUPACtert-butyl N-(4-ethoxycyclohex-3-en-1-yl)carbamate
SMILESCCOC1=CCC(NC(=O)OC(C)(C)C)CC1
InChIInChI=1S/C13H23NO3/c1-5-16-11-8-6-10(7-9-11)14-12(15)17-13(2,3)4/h8,10H,5-7,9H2,1-4H3,(H,14,15)
InChIKeyJKQIAKQNDHGTMD-UHFFFAOYSA-N
MW241.33 g/mol
LogP2.98
Rot. Bonds3

About tert-butyl N-(4-ethoxycyclohex-3-en-1-yl)carbamate

tert-butyl N-(4-ethoxycyclohex-3-en-1-yl)carbamate (PubChem CID 91113406) has the molecular formula C13H23NO3 and a molecular weight of 241.33 g/mol. Its IUPAC name is tert-butyl N-(4-ethoxycyclohex-3-en-1-yl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(4-ethoxycyclohex-3-en-1-yl)carbamate
PubChem CID91113406
Molecular FormulaC13H23NO3
Molecular Weight241.33 g/mol
Exact Mass241.17
IUPAC Nametert-butyl N-(4-ethoxycyclohex-3-en-1-yl)carbamate
SMILESCCOC1=CCC(NC(=O)OC(C)(C)C)CC1
InChIInChI=1S/C13H23NO3/c1-5-16-11-8-6-10(7-9-11)14-12(15)17-13(2,3)4/h8,10H,5-7,9H2,1-4H3,(H,14,15)
InChIKeyJKQIAKQNDHGTMD-UHFFFAOYSA-N
XLogP2.98
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-Butyl cyclohex-3-enylcarbamate
CID 11063381
(R)-4-(Boc-amino)cyclohexene
CID 66696471
N-(4-ethoxycyclohex-3-en-1-yl)acetamide
CID 15571640
(S)-Cyclohex-3-enyl-carbamic acid tert-butyl ester
CID 15935295
tert-butyl N-[(2R,3R)-2-methyl-6-methylideneoxan-3-yl]carbamate
CID 68368852
tert-butyl [(3S,6Z)-6-(cyanomethylene)tetrahydro-2H-pyran-3-yl]carbamate
CID 118494579
tert-butyl N-(4-cyclohex-3-en-1-yloxybutyl)carbamate
CID 123170006
tert-butyl N-(4-cyclohexa-1,3-dien-1-yloxybutyl)carbamate
CID 123172020
tert-butyl N-[(3S)-6-(cyanomethylidene)oxan-3-yl]carbamate
CID 123283860
tert-butyl [(3S,6E)-6-(cyanomethylene)tetrahydro-2H-pyran-3-yl]carbamate
CID 131744668
tert-butyl N-[(3R)-6-[(2-methylpropan-2-yl)oxy]hept-6-en-3-yl]carbamate;ethane
CID 143638661
tert-butyl N-[(6Z)-6-(cyanomethylidene)oxan-3-yl]carbamate
CID 144954873

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(4-ethoxycyclohex-3-en-1-yl)carbamate?
The IUPAC name of tert-butyl N-(4-ethoxycyclohex-3-en-1-yl)carbamate (CID 91113406) is tert-butyl N-(4-ethoxycyclohex-3-en-1-yl)carbamate.
What is the SMILES notation for tert-butyl N-(4-ethoxycyclohex-3-en-1-yl)carbamate?
The canonical SMILES for tert-butyl N-(4-ethoxycyclohex-3-en-1-yl)carbamate is CCOC1=CCC(NC(=O)OC(C)(C)C)CC1.
What is the InChIKey of tert-butyl N-(4-ethoxycyclohex-3-en-1-yl)carbamate?
The InChIKey is JKQIAKQNDHGTMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO3/c1-5-16-11-8-6-10(7-9-11)14-12(15)17-13(2,3)4/h8,10H,5-7,9H2,1-4H3,(H,14,15).
What are the key properties of tert-butyl N-(4-ethoxycyclohex-3-en-1-yl)carbamate?
tert-butyl N-(4-ethoxycyclohex-3-en-1-yl)carbamate has a molecular weight of 241.33 g/mol, XLogP of 2.98, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(4-ethoxycyclohex-3-en-1-yl)carbamate is sourced from PubChem (CID 91113406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).