1-(2-bromoethenyl)cyclohexa-1,3-diene

C8H9Br — CID 123972073

IUPAC1-(2-bromoethenyl)cyclohexa-1,3-diene
SMILESBrC=CC1=CC=CCC1
InChIInChI=1S/C8H9Br/c9-7-6-8-4-2-1-3-5-8/h1-2,4,6-7H,3,5H2
InChIKeyYZMITJHVQMXYRC-UHFFFAOYSA-N
MW185.06 g/mol
LogP3.17
Rot. Bonds1

About 1-(2-bromoethenyl)cyclohexa-1,3-diene

1-(2-bromoethenyl)cyclohexa-1,3-diene (PubChem CID 123972073) has the molecular formula C8H9Br and a molecular weight of 185.06 g/mol. Its IUPAC name is 1-(2-bromoethenyl)cyclohexa-1,3-diene.

Molecular Properties

Compound Name1-(2-bromoethenyl)cyclohexa-1,3-diene
PubChem CID123972073
Molecular FormulaC8H9Br
Molecular Weight185.06 g/mol
Exact Mass183.99
IUPAC Name1-(2-bromoethenyl)cyclohexa-1,3-diene
SMILESBrC=CC1=CC=CCC1
InChIInChI=1S/C8H9Br/c9-7-6-8-4-2-1-3-5-8/h1-2,4,6-7H,3,5H2
InChIKeyYZMITJHVQMXYRC-UHFFFAOYSA-N
XLogP3.17
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.06
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

4-[(E)-2-cyclohexa-1,3-dien-1-ylethenyl]-1-methylpyridin-1-ium
CID 143419731
ethane;1-[(1E,3E)-nona-1,3-dienyl]cyclohexa-1,3-diene
CID 142101264
cycloundeca-1,3-diene-1-carbaldehyde
CID 91339803
1-iodocyclohexa-1,3-diene
CID 527549
5-[(1E,3E)-4-cyclohexa-1,3-dien-1-ylbuta-1,3-dienyl]dithiole-3-thione;ethane
CID 142042375
1-bromocyclohexa-1,3-diene;ethane
CID 142165944
1-cyclohexa-1,3-dien-1-yl-N-(4-fluorophenyl)methanimine
CID 131982794
N-[(E)-2-cyclohexa-1,3-dien-1-yl-1-phenylethenyl]butan-1-amine
CID 143156718
ethane;1-methylcyclohexa-1,3-diene
CID 91025584
cyclohexa-1,3-dien-1-ol;ethane;propane
CID 143588772
1-cyclodeca-1,3-dien-1-ylcyclodeca-1,3-diene
CID 54521470
methanamine;1-methylcyclohexa-1,3-diene
CID 142425195

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromoethenyl)cyclohexa-1,3-diene?
The IUPAC name of 1-(2-bromoethenyl)cyclohexa-1,3-diene (CID 123972073) is 1-(2-bromoethenyl)cyclohexa-1,3-diene.
What is the SMILES notation for 1-(2-bromoethenyl)cyclohexa-1,3-diene?
The canonical SMILES for 1-(2-bromoethenyl)cyclohexa-1,3-diene is BrC=CC1=CC=CCC1.
What is the InChIKey of 1-(2-bromoethenyl)cyclohexa-1,3-diene?
The InChIKey is YZMITJHVQMXYRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9Br/c9-7-6-8-4-2-1-3-5-8/h1-2,4,6-7H,3,5H2.
What are the key properties of 1-(2-bromoethenyl)cyclohexa-1,3-diene?
1-(2-bromoethenyl)cyclohexa-1,3-diene has a molecular weight of 185.06 g/mol, XLogP of 3.17, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromoethenyl)cyclohexa-1,3-diene is sourced from PubChem (CID 123972073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).