tert-butyl N-(3-bromoprop-2-enyl)carbamate

C8H14BrNO2 — CID 173240519

IUPACtert-butyl N-(3-bromoprop-2-enyl)carbamate
SMILESCC(C)(C)OC(=O)NCC=CBr
InChIInChI=1S/C8H14BrNO2/c1-8(2,3)12-7(11)10-6-4-5-9/h4-5H,6H2,1-3H3,(H,10,11)
InChIKeyGOVUALXDZYVDMM-UHFFFAOYSA-N
MW236.11 g/mol
LogP2.42
Rot. Bonds2

About tert-butyl N-(3-bromoprop-2-enyl)carbamate

tert-butyl N-(3-bromoprop-2-enyl)carbamate (PubChem CID 173240519) has the molecular formula C8H14BrNO2 and a molecular weight of 236.11 g/mol. Its IUPAC name is tert-butyl N-(3-bromoprop-2-enyl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(3-bromoprop-2-enyl)carbamate
PubChem CID173240519
Molecular FormulaC8H14BrNO2
Molecular Weight236.11 g/mol
Exact Mass235.02
IUPAC Nametert-butyl N-(3-bromoprop-2-enyl)carbamate
SMILESCC(C)(C)OC(=O)NCC=CBr
InChIInChI=1S/C8H14BrNO2/c1-8(2,3)12-7(11)10-6-4-5-9/h4-5H,6H2,1-3H3,(H,10,11)
InChIKeyGOVUALXDZYVDMM-UHFFFAOYSA-N
XLogP2.42
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.11
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

tert-butyl N-[(E)-4-aminobut-2-enyl]carbamate
CID 18947920
tert-butyl N-[(E)-4-oxobut-2-enyl]carbamate
CID 131235306
tert-butyl N-(3-trimethylsilylprop-2-enyl)carbamate
CID 85157761
tert-butyl N-penta-2,4-dienylcarbamate
CID 54438753
tert-butyl N-[(Z)-5-aminopent-2-enyl]carbamate
CID 140618813
tert-butyl N-(bromomethyl)carbamate
CID 20614913
tert-butyl N-[(2E)-6-methylhepta-2,4-dienyl]carbamate
CID 135038852
methyl (E)-2-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]but-2-enoate
CID 14539281
tert-butyl N-[(E)-4-[(3-hydroxy-3-methylbutan-2-yl)amino]but-2-enyl]carbamate
CID 107253172
tert-butyl N-[(E)-4-(cyclobutylamino)but-2-enyl]carbamate
CID 107253047
tert-butyl N-[3-(4-bromo-2,6-difluorophenyl)prop-2-enyl]carbamate
CID 169468584
tert-butyl N-[(E)-3-(4-fluorophenyl)prop-2-enyl]carbamate
CID 102440441

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(3-bromoprop-2-enyl)carbamate?
The IUPAC name of tert-butyl N-(3-bromoprop-2-enyl)carbamate (CID 173240519) is tert-butyl N-(3-bromoprop-2-enyl)carbamate.
What is the SMILES notation for tert-butyl N-(3-bromoprop-2-enyl)carbamate?
The canonical SMILES for tert-butyl N-(3-bromoprop-2-enyl)carbamate is CC(C)(C)OC(=O)NCC=CBr.
What is the InChIKey of tert-butyl N-(3-bromoprop-2-enyl)carbamate?
The InChIKey is GOVUALXDZYVDMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14BrNO2/c1-8(2,3)12-7(11)10-6-4-5-9/h4-5H,6H2,1-3H3,(H,10,11).
What are the key properties of tert-butyl N-(3-bromoprop-2-enyl)carbamate?
tert-butyl N-(3-bromoprop-2-enyl)carbamate has a molecular weight of 236.11 g/mol, XLogP of 2.42, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(3-bromoprop-2-enyl)carbamate is sourced from PubChem (CID 173240519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).