1-bromotricyclo[3.1.0.02,6]hex-3-ene

C6H5Br — CID 15568692

IUPAC1-bromotricyclo[3.1.0.02,6]hex-3-ene
SMILESBrC12C3C=CC1C32
InChIInChI=1S/C6H5Br/c7-6-3-1-2-4(6)5(3)6/h1-5H
InChIKeyQPSSDOYJBVWROU-UHFFFAOYSA-N
MW157.01 g/mol
LogP1.57
Rot. Bonds

About 1-bromotricyclo[3.1.0.02,6]hex-3-ene

1-bromotricyclo[3.1.0.02,6]hex-3-ene (PubChem CID 15568692) has the molecular formula C6H5Br and a molecular weight of 157.01 g/mol. Its IUPAC name is 1-bromotricyclo[3.1.0.02,6]hex-3-ene.

Molecular Properties

Compound Name1-bromotricyclo[3.1.0.02,6]hex-3-ene
PubChem CID15568692
Molecular FormulaC6H5Br
Molecular Weight157.01 g/mol
Exact Mass155.96
IUPAC Name1-bromotricyclo[3.1.0.02,6]hex-3-ene
SMILESBrC12C3C=CC1C32
InChIInChI=1S/C6H5Br/c7-6-3-1-2-4(6)5(3)6/h1-5H
InChIKeyQPSSDOYJBVWROU-UHFFFAOYSA-N
XLogP1.57
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.01
LogP ≤ 51.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-bromotricyclo[3.1.0.02,6]hex-3-ene?
The IUPAC name of 1-bromotricyclo[3.1.0.02,6]hex-3-ene (CID 15568692) is 1-bromotricyclo[3.1.0.02,6]hex-3-ene.
What is the SMILES notation for 1-bromotricyclo[3.1.0.02,6]hex-3-ene?
The canonical SMILES for 1-bromotricyclo[3.1.0.02,6]hex-3-ene is BrC12C3C=CC1C32.
What is the InChIKey of 1-bromotricyclo[3.1.0.02,6]hex-3-ene?
The InChIKey is QPSSDOYJBVWROU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5Br/c7-6-3-1-2-4(6)5(3)6/h1-5H.
What are the key properties of 1-bromotricyclo[3.1.0.02,6]hex-3-ene?
1-bromotricyclo[3.1.0.02,6]hex-3-ene has a molecular weight of 157.01 g/mol, XLogP of 1.57, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromotricyclo[3.1.0.02,6]hex-3-ene is sourced from PubChem (CID 15568692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).