prop-2-enyl bromite

C3H5BrO2 — CID 139660465

IUPACprop-2-enyl bromite
SMILESC=CCO[Br+][O-]
InChIInChI=1S/C3H5BrO2/c1-2-3-6-4-5/h2H,1,3H2
InChIKeyQGZGZGYYHZCQGZ-UHFFFAOYSA-N
MW152.97 g/mol
LogP-0.54
Rot. Bonds3

About prop-2-enyl bromite

prop-2-enyl bromite (PubChem CID 139660465) has the molecular formula C3H5BrO2 and a molecular weight of 152.97 g/mol. Its IUPAC name is prop-2-enyl bromite.

Molecular Properties

Compound Nameprop-2-enyl bromite
PubChem CID139660465
Molecular FormulaC3H5BrO2
Molecular Weight152.97 g/mol
Exact Mass151.95
IUPAC Nameprop-2-enyl bromite
SMILESC=CCO[Br+][O-]
InChIInChI=1S/C3H5BrO2/c1-2-3-6-4-5/h2H,1,3H2
InChIKeyQGZGZGYYHZCQGZ-UHFFFAOYSA-N
XLogP-0.54
TPSA32.29 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.97
LogP ≤ 5-0.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

sodium 3-oxidooxyprop-1-ene
CID 173219790
Potassium allyloxide
CID 87828396
3,3-bis(prop-2-enoxy)penta-1,4-diene
CID 11769137
CID 173009539
CID 173009539
azane;3-prop-2-enoxyprop-1-ene;hydrochloride
CID 173111955
trizinc bis(trioxido(prop-2-enoxy)silane)
CID 173011776
CID 87625662
CID 87625662
tris(prop-1-ene);3-prop-2-enoxyprop-1-ene
CID 175414947
3-methanidyloxyprop-1-ene;rutherfordium
CID 162454034
3-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-prop-2-enoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]prop-1-ene
CID 58112303
ethenamine;3-prop-2-enoxyprop-1-ene
CID 174942640
disodium;prop-2-enyl phosphate
CID 87157623

Frequently Asked Questions

What is the IUPAC name of prop-2-enyl bromite?
The IUPAC name of prop-2-enyl bromite (CID 139660465) is prop-2-enyl bromite.
What is the SMILES notation for prop-2-enyl bromite?
The canonical SMILES for prop-2-enyl bromite is C=CCO[Br+][O-].
What is the InChIKey of prop-2-enyl bromite?
The InChIKey is QGZGZGYYHZCQGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H5BrO2/c1-2-3-6-4-5/h2H,1,3H2.
What are the key properties of prop-2-enyl bromite?
prop-2-enyl bromite has a molecular weight of 152.97 g/mol, XLogP of -0.54, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enyl bromite is sourced from PubChem (CID 139660465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).