4-bromocycloheptene

C7H11Br — CID 12585847

IUPAC4-bromocycloheptene
SMILESBrC1CC=CCCC1
InChIInChI=1S/C7H11Br/c8-7-5-3-1-2-4-6-7/h1,3,7H,2,4-6H2
InChIKeyTTYUMVAYJKJMLE-UHFFFAOYSA-N
MW175.07 g/mol
LogP2.88
Rot. Bonds

About 4-bromocycloheptene

4-bromocycloheptene (PubChem CID 12585847) has the molecular formula C7H11Br and a molecular weight of 175.07 g/mol. Its IUPAC name is 4-bromocycloheptene.

Molecular Properties

Compound Name4-bromocycloheptene
PubChem CID12585847
Molecular FormulaC7H11Br
Molecular Weight175.07 g/mol
Exact Mass174.00
IUPAC Name4-bromocycloheptene
SMILESBrC1CC=CCCC1
InChIInChI=1S/C7H11Br/c8-7-5-3-1-2-4-6-7/h1,3,7H,2,4-6H2
InChIKeyTTYUMVAYJKJMLE-UHFFFAOYSA-N
XLogP2.88
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.07
LogP ≤ 52.88
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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Related Compounds

ethane;4-methylcycloheptene
CID 142851134
9-oxabicyclo[6.1.0]non-3-ene
CID 548984
(1Z)-6-methylcyclononene
CID 22177377
(3E)-cyclooct-3-en-1-amine
CID 139404847
(1E,7E)-cyclododeca-1,7-diene
CID 6477773
(5E)-bicyclo[9.1.0]dodec-5-ene
CID 144561287
(4Z)-cyclooct-4-en-1-ol
CID 5381510
(4S,5S)-4,5-dibromocyclohexene
CID 5325851
N-cyclobutyl-N-methylcyclohex-3-en-1-amine
CID 145406243
(3Z)-10-oxabicyclo[7.1.0]dec-3-ene
CID 12742771
(1Z)-6-chlorocyclopentadecene
CID 138480861
4-cyclopentylcyclohexene
CID 524571

Frequently Asked Questions

What is the IUPAC name of 4-bromocycloheptene?
The IUPAC name of 4-bromocycloheptene (CID 12585847) is 4-bromocycloheptene.
What is the SMILES notation for 4-bromocycloheptene?
The canonical SMILES for 4-bromocycloheptene is BrC1CC=CCCC1.
What is the InChIKey of 4-bromocycloheptene?
The InChIKey is TTYUMVAYJKJMLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11Br/c8-7-5-3-1-2-4-6-7/h1,3,7H,2,4-6H2.
What are the key properties of 4-bromocycloheptene?
4-bromocycloheptene has a molecular weight of 175.07 g/mol, XLogP of 2.88, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromocycloheptene is sourced from PubChem (CID 12585847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).