2,2,2-tribromoethyl N-prop-2-enylcarbamate

C6H8Br3NO2 — CID 173308165

IUPAC2,2,2-tribromoethyl N-prop-2-enylcarbamate
SMILESC=CCNC(=O)OCC(Br)(Br)Br
InChIInChI=1S/C6H8Br3NO2/c1-2-3-10-5(11)12-4-6(7,8)9/h2H,1,3-4H2,(H,10,11)
InChIKeyHBJKBEZOURPOOJ-UHFFFAOYSA-N
MW365.85 g/mol
LogP2.74
Rot. Bonds3

About 2,2,2-tribromoethyl N-prop-2-enylcarbamate

2,2,2-tribromoethyl N-prop-2-enylcarbamate (PubChem CID 173308165) has the molecular formula C6H8Br3NO2 and a molecular weight of 365.85 g/mol. Its IUPAC name is 2,2,2-tribromoethyl N-prop-2-enylcarbamate.

Molecular Properties

Compound Name2,2,2-tribromoethyl N-prop-2-enylcarbamate
PubChem CID173308165
Molecular FormulaC6H8Br3NO2
Molecular Weight365.85 g/mol
Exact Mass362.81
IUPAC Name2,2,2-tribromoethyl N-prop-2-enylcarbamate
SMILESC=CCNC(=O)OCC(Br)(Br)Br
InChIInChI=1S/C6H8Br3NO2/c1-2-3-10-5(11)12-4-6(7,8)9/h2H,1,3-4H2,(H,10,11)
InChIKeyHBJKBEZOURPOOJ-UHFFFAOYSA-N
XLogP2.74
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.85
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[2-(hydroxymethyl)-2-methylpentyl] N-prop-2-enylcarbamate
CID 91621260
prop-2-enylcarbamoyl formate
CID 173333387
heptyl N-prop-2-enylcarbamate
CID 123482137
3-[2-(prop-2-enylcarbamoyloxy)ethoxy]propanoic acid
CID 155175290
2-methyl-N-prop-2-enylhexa-2,5-dienamide
CID 174329237
1-phenoxy-3-prop-2-enylurea
CID 119090624
(2R)-2-amino-3-[2-(prop-2-enylcarbamoyloxy)ethylsulfanyl]propanoic acid
CID 121421833
2-(2-aminoethoxy)-N-prop-2-enylacetamide
CID 62343413
prop-2-enylcarbamic acid;hydrate
CID 173458484
(Z)-2-hydroxy-N-prop-2-enylbut-2-enamide
CID 87714172
1-N,3-N,5-N-tris(prop-2-enyl)benzene-1,3,5-tricarboxamide
CID 54451991
2-hydrazinyl-N-prop-2-enylacetamide
CID 83694224

Frequently Asked Questions

What is the IUPAC name of 2,2,2-tribromoethyl N-prop-2-enylcarbamate?
The IUPAC name of 2,2,2-tribromoethyl N-prop-2-enylcarbamate (CID 173308165) is 2,2,2-tribromoethyl N-prop-2-enylcarbamate.
What is the SMILES notation for 2,2,2-tribromoethyl N-prop-2-enylcarbamate?
The canonical SMILES for 2,2,2-tribromoethyl N-prop-2-enylcarbamate is C=CCNC(=O)OCC(Br)(Br)Br.
What is the InChIKey of 2,2,2-tribromoethyl N-prop-2-enylcarbamate?
The InChIKey is HBJKBEZOURPOOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8Br3NO2/c1-2-3-10-5(11)12-4-6(7,8)9/h2H,1,3-4H2,(H,10,11).
What are the key properties of 2,2,2-tribromoethyl N-prop-2-enylcarbamate?
2,2,2-tribromoethyl N-prop-2-enylcarbamate has a molecular weight of 365.85 g/mol, XLogP of 2.74, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-tribromoethyl N-prop-2-enylcarbamate is sourced from PubChem (CID 173308165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).