2-methylbicyclo[2.2.1]hept-1-ene bromide

C8H12Br- — CID 22267048

IUPAC2-methylbicyclo[2.2.1]hept-1-ene bromide
SMILESCC1=C2CCC(C1)C2.[Br-]
InChIInChI=1S/C8H12.BrH/c1-6-4-7-2-3-8(6)5-7;/h7H,2-5H2,1H3;1H/p-1
InChIKeyJLZJPVDSIRYKKF-UHFFFAOYSA-M
MW188.09 g/mol
LogP-0.49
Rot. Bonds

About 2-methylbicyclo[2.2.1]hept-1-ene bromide

2-methylbicyclo[2.2.1]hept-1-ene bromide (PubChem CID 22267048) has the molecular formula C8H12Br- and a molecular weight of 188.09 g/mol. Its IUPAC name is 2-methylbicyclo[2.2.1]hept-1-ene bromide.

Molecular Properties

Compound Name2-methylbicyclo[2.2.1]hept-1-ene bromide
PubChem CID22267048
Molecular FormulaC8H12Br-
Molecular Weight188.09 g/mol
Exact Mass187.01
IUPAC Name2-methylbicyclo[2.2.1]hept-1-ene bromide
SMILESCC1=C2CCC(C1)C2.[Br-]
InChIInChI=1S/C8H12.BrH/c1-6-4-7-2-3-8(6)5-7;/h7H,2-5H2,1H3;1H/p-1
InChIKeyJLZJPVDSIRYKKF-UHFFFAOYSA-M
XLogP-0.49
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.09
LogP ≤ 5-0.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

7-methylbicyclo[3.2.1]oct-1(7)-ene
CID 148582916
2-methylbicyclo[8.5.1]hexadec-1-ene
CID 123408144
2-(cyclobuten-1-yl)bicyclo[2.2.1]hept-1-ene
CID 174947886
2-[1-(2-bicyclo[2.2.1]hept-1-enyl)buta-1,2-dienyl]bicyclo[2.2.1]hept-1-ene
CID 175476662
2-prop-2-enylbicyclo[2.2.1]hept-1-ene
CID 22988542
2-(1-phenylethyl)bicyclo[2.2.1]hept-1-ene
CID 173016068
[2-bicyclo[2.2.1]hept-1-enyl(ethyl)silyl]-trimethoxysilane
CID 175391853
2-(cyclohexen-1-yl)bicyclo[2.2.1]hept-1-ene
CID 19099788
2-(2-bicyclo[2.2.1]hept-1-enyl)-1-(diaminomethylidene)guanidine
CID 175060908
bicyclo[2.2.1]hept-1-ene;2-butylbicyclo[2.2.1]hept-1-ene
CID 18318750
1,2-dimethyl-4-[(E)-prop-1-enyl]cyclohexene
CID 121217794
2,5,5-trimethylbicyclo[2.2.1]hept-1-ene
CID 57027101

Frequently Asked Questions

What is the IUPAC name of 2-methylbicyclo[2.2.1]hept-1-ene bromide?
The IUPAC name of 2-methylbicyclo[2.2.1]hept-1-ene bromide (CID 22267048) is 2-methylbicyclo[2.2.1]hept-1-ene bromide.
What is the SMILES notation for 2-methylbicyclo[2.2.1]hept-1-ene bromide?
The canonical SMILES for 2-methylbicyclo[2.2.1]hept-1-ene bromide is CC1=C2CCC(C1)C2.[Br-].
What is the InChIKey of 2-methylbicyclo[2.2.1]hept-1-ene bromide?
The InChIKey is JLZJPVDSIRYKKF-UHFFFAOYSA-M. The full InChI is InChI=1S/C8H12.BrH/c1-6-4-7-2-3-8(6)5-7;/h7H,2-5H2,1H3;1H/p-1.
What are the key properties of 2-methylbicyclo[2.2.1]hept-1-ene bromide?
2-methylbicyclo[2.2.1]hept-1-ene bromide has a molecular weight of 188.09 g/mol, XLogP of -0.49, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylbicyclo[2.2.1]hept-1-ene bromide is sourced from PubChem (CID 22267048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).