tert-butyl N-(2-ethenyl-1-ethylimidazol-4-yl)carbamate

C12H19N3O2 — CID 143109510

IUPACtert-butyl N-(2-ethenyl-1-ethylimidazol-4-yl)carbamate
SMILESC=Cc1nc(NC(=O)OC(C)(C)C)cn1CC
InChIInChI=1S/C12H19N3O2/c1-6-10-13-9(8-15(10)7-2)14-11(16)17-12(3,4)5/h6,8H,1,7H2,2-5H3,(H,14,16)
InChIKeyOTWUHEMDSGSLGU-UHFFFAOYSA-N
MW237.30 g/mol
LogP2.89
Rot. Bonds3

About tert-butyl N-(2-ethenyl-1-ethylimidazol-4-yl)carbamate

tert-butyl N-(2-ethenyl-1-ethylimidazol-4-yl)carbamate (PubChem CID 143109510) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is tert-butyl N-(2-ethenyl-1-ethylimidazol-4-yl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(2-ethenyl-1-ethylimidazol-4-yl)carbamate
PubChem CID143109510
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC Nametert-butyl N-(2-ethenyl-1-ethylimidazol-4-yl)carbamate
SMILESC=Cc1nc(NC(=O)OC(C)(C)C)cn1CC
InChIInChI=1S/C12H19N3O2/c1-6-10-13-9(8-15(10)7-2)14-11(16)17-12(3,4)5/h6,8H,1,7H2,2-5H3,(H,14,16)
InChIKeyOTWUHEMDSGSLGU-UHFFFAOYSA-N
XLogP2.89
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[2-[(1Z)-buta-1,3-dienyl]-1-methylimidazol-4-yl]carbamate
CID 143109523
tert-butyl N-[2-(2-hydroxypropan-2-yl)-1-methylimidazol-4-yl]carbamate
CID 178071462
tert-butyl N-(1-ethylpyrazol-4-yl)carbamate
CID 65142970
tert-butyl N-(3-bromo-1-ethylpyrrolo[3,2-c]pyridin-6-yl)carbamate
CID 67357244
tert-butyl N-[5-[(2-methylpropan-2-yl)oxycarbonylamino]pyrazin-2-yl]carbamate
CID 11012344
tert-butyl N-[6-[(dimethylamino)methyl]-2-pyridinyl]carbamate
CID 178156276
4-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-oxazole-2-carboxylic acid
CID 175654041
tert-butyl N-(5-ethyl-6-methoxypyrazin-2-yl)carbamate
CID 145226856
methyl 2-chloro-6-[(2-methylpropan-2-yl)oxycarbonylamino]pyridine-4-carboxylate
CID 146241727
tert-butyl N-[4-(prop-2-enylamino)phenyl]carbamate
CID 112980140
tert-butyl N-[2,4-bis(methylsulfanyl)imidazo[1,2-a][1,3,5]triazin-7-yl]carbamate
CID 68593696
tert-butyl N-[4-[(1-ethylimidazol-2-yl)methylamino]phenyl]carbamate
CID 103756740

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(2-ethenyl-1-ethylimidazol-4-yl)carbamate?
The IUPAC name of tert-butyl N-(2-ethenyl-1-ethylimidazol-4-yl)carbamate (CID 143109510) is tert-butyl N-(2-ethenyl-1-ethylimidazol-4-yl)carbamate.
What is the SMILES notation for tert-butyl N-(2-ethenyl-1-ethylimidazol-4-yl)carbamate?
The canonical SMILES for tert-butyl N-(2-ethenyl-1-ethylimidazol-4-yl)carbamate is C=Cc1nc(NC(=O)OC(C)(C)C)cn1CC.
What is the InChIKey of tert-butyl N-(2-ethenyl-1-ethylimidazol-4-yl)carbamate?
The InChIKey is OTWUHEMDSGSLGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2/c1-6-10-13-9(8-15(10)7-2)14-11(16)17-12(3,4)5/h6,8H,1,7H2,2-5H3,(H,14,16).
What are the key properties of tert-butyl N-(2-ethenyl-1-ethylimidazol-4-yl)carbamate?
tert-butyl N-(2-ethenyl-1-ethylimidazol-4-yl)carbamate has a molecular weight of 237.30 g/mol, XLogP of 2.89, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(2-ethenyl-1-ethylimidazol-4-yl)carbamate is sourced from PubChem (CID 143109510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).