tert-butyl N-(2-bromoprop-2-enyl)-N-prop-2-enylcarbamate

C11H18BrNO2 — CID 11425855

IUPACtert-butyl N-(2-bromoprop-2-enyl)-N-prop-2-enylcarbamate
SMILESC=CCN(CC(=C)Br)C(=O)OC(C)(C)C
InChIInChI=1S/C11H18BrNO2/c1-6-7-13(8-9(2)12)10(14)15-11(3,4)5/h6H,1-2,7-8H2,3-5H3
InChIKeyAFBIERGSZDEBPO-UHFFFAOYSA-N
MW276.17 g/mol
LogP3.32
Rot. Bonds4

About tert-butyl N-(2-bromoprop-2-enyl)-N-prop-2-enylcarbamate

tert-butyl N-(2-bromoprop-2-enyl)-N-prop-2-enylcarbamate (PubChem CID 11425855) has the molecular formula C11H18BrNO2 and a molecular weight of 276.17 g/mol. Its IUPAC name is tert-butyl N-(2-bromoprop-2-enyl)-N-prop-2-enylcarbamate.

Molecular Properties

Compound Nametert-butyl N-(2-bromoprop-2-enyl)-N-prop-2-enylcarbamate
PubChem CID11425855
Molecular FormulaC11H18BrNO2
Molecular Weight276.17 g/mol
Exact Mass275.05
IUPAC Nametert-butyl N-(2-bromoprop-2-enyl)-N-prop-2-enylcarbamate
SMILESC=CCN(CC(=C)Br)C(=O)OC(C)(C)C
InChIInChI=1S/C11H18BrNO2/c1-6-7-13(8-9(2)12)10(14)15-11(3,4)5/h6H,1-2,7-8H2,3-5H3
InChIKeyAFBIERGSZDEBPO-UHFFFAOYSA-N
XLogP3.32
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.17
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(2-bromoprop-2-enyl)-N-prop-2-enylcarbamate?
The IUPAC name of tert-butyl N-(2-bromoprop-2-enyl)-N-prop-2-enylcarbamate (CID 11425855) is tert-butyl N-(2-bromoprop-2-enyl)-N-prop-2-enylcarbamate.
What is the SMILES notation for tert-butyl N-(2-bromoprop-2-enyl)-N-prop-2-enylcarbamate?
The canonical SMILES for tert-butyl N-(2-bromoprop-2-enyl)-N-prop-2-enylcarbamate is C=CCN(CC(=C)Br)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-(2-bromoprop-2-enyl)-N-prop-2-enylcarbamate?
The InChIKey is AFBIERGSZDEBPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18BrNO2/c1-6-7-13(8-9(2)12)10(14)15-11(3,4)5/h6H,1-2,7-8H2,3-5H3.
What are the key properties of tert-butyl N-(2-bromoprop-2-enyl)-N-prop-2-enylcarbamate?
tert-butyl N-(2-bromoprop-2-enyl)-N-prop-2-enylcarbamate has a molecular weight of 276.17 g/mol, XLogP of 3.32, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(2-bromoprop-2-enyl)-N-prop-2-enylcarbamate is sourced from PubChem (CID 11425855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).