prop-1-ene;hydrobromide

C3H7Br — CID 87357152

IUPACprop-1-ene;hydrobromide
SMILESBr.C=CC
InChIInChI=1S/C3H6.BrH/c1-3-2;/h3H,1H2,2H3;1H
InChIKeyBEWBPYPDDIDGPQ-UHFFFAOYSA-N
MW122.99 g/mol
LogP1.77
Rot. Bonds

About prop-1-ene;hydrobromide

prop-1-ene;hydrobromide (PubChem CID 87357152) has the molecular formula C3H7Br and a molecular weight of 122.99 g/mol. Its IUPAC name is prop-1-ene;hydrobromide.

Molecular Properties

Compound Nameprop-1-ene;hydrobromide
PubChem CID87357152
Molecular FormulaC3H7Br
Molecular Weight122.99 g/mol
Exact Mass121.97
IUPAC Nameprop-1-ene;hydrobromide
SMILESBr.C=CC
InChIInChI=1S/C3H6.BrH/c1-3-2;/h3H,1H2,2H3;1H
InChIKeyBEWBPYPDDIDGPQ-UHFFFAOYSA-N
XLogP1.77
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms4
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500122.99
LogP ≤ 51.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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 prop-1-ene;hydrobromide?
The IUPAC name of prop-1-ene;hydrobromide (CID 87357152) is prop-1-ene;hydrobromide.
What is the SMILES notation for prop-1-ene;hydrobromide?
The canonical SMILES for prop-1-ene;hydrobromide is Br.C=CC.
What is the InChIKey of prop-1-ene;hydrobromide?
The InChIKey is BEWBPYPDDIDGPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6.BrH/c1-3-2;/h3H,1H2,2H3;1H.
What are the key properties of prop-1-ene;hydrobromide?
prop-1-ene;hydrobromide has a molecular weight of 122.99 g/mol, XLogP of 1.77, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for prop-1-ene;hydrobromide is sourced from PubChem (CID 87357152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).