bromobenzene;prop-1-ene

C9H11Br — CID 159947245

IUPACbromobenzene;prop-1-ene
SMILESBrc1ccccc1.C=CC
InChIInChI=1S/C6H5Br.C3H6/c7-6-4-2-1-3-5-6;1-3-2/h1-5H;3H,1H2,2H3
InChIKeyOBQLIGVXQZHXTE-UHFFFAOYSA-N
MW199.09 g/mol
LogP3.64
Rot. Bonds

About bromobenzene;prop-1-ene

bromobenzene;prop-1-ene (PubChem CID 159947245) has the molecular formula C9H11Br and a molecular weight of 199.09 g/mol. Its IUPAC name is bromobenzene;prop-1-ene.

Molecular Properties

Compound Namebromobenzene;prop-1-ene
PubChem CID159947245
Molecular FormulaC9H11Br
Molecular Weight199.09 g/mol
Exact Mass198.00
IUPAC Namebromobenzene;prop-1-ene
SMILESBrc1ccccc1.C=CC
InChIInChI=1S/C6H5Br.C3H6/c7-6-4-2-1-3-5-6;1-3-2/h1-5H;3H,1H2,2H3
InChIKeyOBQLIGVXQZHXTE-UHFFFAOYSA-N
XLogP3.64
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.09
LogP ≤ 53.64
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 bromobenzene;prop-1-ene?
The IUPAC name of bromobenzene;prop-1-ene (CID 159947245) is bromobenzene;prop-1-ene.
What is the SMILES notation for bromobenzene;prop-1-ene?
The canonical SMILES for bromobenzene;prop-1-ene is Brc1ccccc1.C=CC.
What is the InChIKey of bromobenzene;prop-1-ene?
The InChIKey is OBQLIGVXQZHXTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5Br.C3H6/c7-6-4-2-1-3-5-6;1-3-2/h1-5H;3H,1H2,2H3.
What are the key properties of bromobenzene;prop-1-ene?
bromobenzene;prop-1-ene has a molecular weight of 199.09 g/mol, XLogP of 3.64, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bromobenzene;prop-1-ene is sourced from PubChem (CID 159947245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).