tert-butyl N-cyclohex-2-en-1-yl-N-prop-2-enylcarbamate

C14H23NO2 — CID 135043965

IUPACtert-butyl N-cyclohex-2-en-1-yl-N-prop-2-enylcarbamate
SMILESC=CCN(C(=O)OC(C)(C)C)C1C=CCCC1
InChIInChI=1S/C14H23NO2/c1-5-11-15(12-9-7-6-8-10-12)13(16)17-14(2,3)4/h5,7,9,12H,1,6,8,10-11H2,2-4H3
InChIKeyHYAIXWXCFFPPQL-UHFFFAOYSA-N
MW237.34 g/mol
LogP3.52
Rot. Bonds3

About tert-butyl N-cyclohex-2-en-1-yl-N-prop-2-enylcarbamate

tert-butyl N-cyclohex-2-en-1-yl-N-prop-2-enylcarbamate (PubChem CID 135043965) has the molecular formula C14H23NO2 and a molecular weight of 237.34 g/mol. Its IUPAC name is tert-butyl N-cyclohex-2-en-1-yl-N-prop-2-enylcarbamate.

Molecular Properties

Compound Nametert-butyl N-cyclohex-2-en-1-yl-N-prop-2-enylcarbamate
PubChem CID135043965
Molecular FormulaC14H23NO2
Molecular Weight237.34 g/mol
Exact Mass237.17
IUPAC Nametert-butyl N-cyclohex-2-en-1-yl-N-prop-2-enylcarbamate
SMILESC=CCN(C(=O)OC(C)(C)C)C1C=CCCC1
InChIInChI=1S/C14H23NO2/c1-5-11-15(12-9-7-6-8-10-12)13(16)17-14(2,3)4/h5,7,9,12H,1,6,8,10-11H2,2-4H3
InChIKeyHYAIXWXCFFPPQL-UHFFFAOYSA-N
XLogP3.52
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.34
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

Tert-butyl 2-(prop-2-en-1-yl)pyrrolidine-1-carboxylate
CID 3755290
2-Vinylpyrrolidine, N-BOC protected
CID 13905156
tert-Butyl 2-azabicyclo[2.2.1]hept-5-ene-2-carboxylate
CID 15837921
tert-Butyl 4-methyl-5,6-dihydropyridine-1(2H)-carboxylate
CID 22961112
tert-Butyl 3,6-dihydropyridine-1(2H)-carboxylate
CID 13094787
tert-Butyl cyclohex-2-en-1-ylcarbamate
CID 10012946
(2S)-N-tert-butoxycarbonyl-2-vinylpyrrolidine
CID 11084803
tert-Butyl (2R)-2-ethenylpyrrolidine-1-carboxylate
CID 12185972
tert-butyl 2-Vinylpiperidine-1-carboxylate
CID 14898394
Tert-butyl 9-azabicyclo[4.2.1]non-3-ene-9-carboxylate
CID 73001265
tert-butyl (1R,4S)-7-azabicyclo[2.2.1]hept-2-ene-7-carboxylate
CID 10488092
Tert-butyl 5-azaspiro[3.4]oct-7-ene-5-carboxylate
CID 122163681

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-cyclohex-2-en-1-yl-N-prop-2-enylcarbamate?
The IUPAC name of tert-butyl N-cyclohex-2-en-1-yl-N-prop-2-enylcarbamate (CID 135043965) is tert-butyl N-cyclohex-2-en-1-yl-N-prop-2-enylcarbamate.
What is the SMILES notation for tert-butyl N-cyclohex-2-en-1-yl-N-prop-2-enylcarbamate?
The canonical SMILES for tert-butyl N-cyclohex-2-en-1-yl-N-prop-2-enylcarbamate is C=CCN(C(=O)OC(C)(C)C)C1C=CCCC1.
What is the InChIKey of tert-butyl N-cyclohex-2-en-1-yl-N-prop-2-enylcarbamate?
The InChIKey is HYAIXWXCFFPPQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO2/c1-5-11-15(12-9-7-6-8-10-12)13(16)17-14(2,3)4/h5,7,9,12H,1,6,8,10-11H2,2-4H3.
What are the key properties of tert-butyl N-cyclohex-2-en-1-yl-N-prop-2-enylcarbamate?
tert-butyl N-cyclohex-2-en-1-yl-N-prop-2-enylcarbamate has a molecular weight of 237.34 g/mol, XLogP of 3.52, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-cyclohex-2-en-1-yl-N-prop-2-enylcarbamate is sourced from PubChem (CID 135043965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).