3-bromoprop-2-enyl methyl carbonate

C5H7BrO3 — CID 164884272

IUPAC3-bromoprop-2-enyl methyl carbonate
SMILESCOC(=O)OCC=CBr
InChIInChI=1S/C5H7BrO3/c1-8-5(7)9-4-2-3-6/h2-3H,4H2,1H3
InChIKeyVGZXBOVYFFOERA-UHFFFAOYSA-N
MW195.01 g/mol
LogP1.68
Rot. Bonds2

About 3-bromoprop-2-enyl methyl carbonate

3-bromoprop-2-enyl methyl carbonate (PubChem CID 164884272) has the molecular formula C5H7BrO3 and a molecular weight of 195.01 g/mol. Its IUPAC name is 3-bromoprop-2-enyl methyl carbonate.

Molecular Properties

Compound Name3-bromoprop-2-enyl methyl carbonate
PubChem CID164884272
Molecular FormulaC5H7BrO3
Molecular Weight195.01 g/mol
Exact Mass193.96
IUPAC Name3-bromoprop-2-enyl methyl carbonate
SMILESCOC(=O)OCC=CBr
InChIInChI=1S/C5H7BrO3/c1-8-5(7)9-4-2-3-6/h2-3H,4H2,1H3
InChIKeyVGZXBOVYFFOERA-UHFFFAOYSA-N
XLogP1.68
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.01
LogP ≤ 51.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3-bromoprop-2-enyl methyl carbonate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-bromoprop-2-enyl methyl carbonate?
The IUPAC name of 3-bromoprop-2-enyl methyl carbonate (CID 164884272) is 3-bromoprop-2-enyl methyl carbonate.
What is the SMILES notation for 3-bromoprop-2-enyl methyl carbonate?
The canonical SMILES for 3-bromoprop-2-enyl methyl carbonate is COC(=O)OCC=CBr.
What is the InChIKey of 3-bromoprop-2-enyl methyl carbonate?
The InChIKey is VGZXBOVYFFOERA-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7BrO3/c1-8-5(7)9-4-2-3-6/h2-3H,4H2,1H3.
What are the key properties of 3-bromoprop-2-enyl methyl carbonate?
3-bromoprop-2-enyl methyl carbonate has a molecular weight of 195.01 g/mol, XLogP of 1.68, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromoprop-2-enyl methyl carbonate is sourced from PubChem (CID 164884272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).