(1S,6S)-7-(bromomethyl)bicyclo[4.1.0]heptane

C8H13Br — CID 124598280

IUPAC(1S,6S)-7-(bromomethyl)bicyclo[4.1.0]heptane
SMILESBrCC1[C@H]2CCCC[C@H]12
InChIInChI=1S/C8H13Br/c9-5-8-6-3-1-2-4-7(6)8/h6-8H,1-5H2/t6-,7-/m0/s1
InChIKeyWLZVPHAFYCGHHT-BQBZGAKWSA-N
MW189.10 g/mol
LogP2.82
Rot. Bonds1

About (1S,6S)-7-(bromomethyl)bicyclo[4.1.0]heptane

(1S,6S)-7-(bromomethyl)bicyclo[4.1.0]heptane (PubChem CID 124598280) has the molecular formula C8H13Br and a molecular weight of 189.10 g/mol. Its IUPAC name is (1S,6S)-7-(bromomethyl)bicyclo[4.1.0]heptane.

Molecular Properties

Compound Name(1S,6S)-7-(bromomethyl)bicyclo[4.1.0]heptane
PubChem CID124598280
Molecular FormulaC8H13Br
Molecular Weight189.10 g/mol
Exact Mass188.02
IUPAC Name(1S,6S)-7-(bromomethyl)bicyclo[4.1.0]heptane
SMILESBrCC1[C@H]2CCCC[C@H]12
InChIInChI=1S/C8H13Br/c9-5-8-6-3-1-2-4-7(6)8/h6-8H,1-5H2/t6-,7-/m0/s1
InChIKeyWLZVPHAFYCGHHT-BQBZGAKWSA-N
XLogP2.82
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.10
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

(1R,4S,6R,9S)-5,10-bis(bromomethyl)tricyclo[7.1.0.04,6]decane
CID 15466704
[(1S,8R)-9-bicyclo[6.1.0]nonanyl]methanol
CID 130621162
[(1S,7R)-8-bicyclo[5.1.0]octanyl]methanol
CID 130650941
(1S,2S,6R,7R)-tricyclo[5.4.0.02,6]undecane
CID 101375325
magnesium;bromomethylcyclopentane;hydride
CID 173045510
1-[(7R)-8-bicyclo[5.1.0]octanyl]-N-methylmethanamine
CID 137483176
2-(8-bicyclo[5.1.0]octanyl)acetaldehyde
CID 84649680
9-butyl-2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-fluorene
CID 59963526
7,8-dimethylbicyclo[4.2.0]octane;ethane
CID 158084419
ethane;tricyclo[5.3.0.02,6]decane
CID 158606562
tricyclo[5.4.0.08,11]undecane
CID 176586412
tricyclo[5.5.0.02,6]dodecane
CID 578151

Frequently Asked Questions

What is the IUPAC name of (1S,6S)-7-(bromomethyl)bicyclo[4.1.0]heptane?
The IUPAC name of (1S,6S)-7-(bromomethyl)bicyclo[4.1.0]heptane (CID 124598280) is (1S,6S)-7-(bromomethyl)bicyclo[4.1.0]heptane.
What is the SMILES notation for (1S,6S)-7-(bromomethyl)bicyclo[4.1.0]heptane?
The canonical SMILES for (1S,6S)-7-(bromomethyl)bicyclo[4.1.0]heptane is BrCC1[C@H]2CCCC[C@H]12.
What is the InChIKey of (1S,6S)-7-(bromomethyl)bicyclo[4.1.0]heptane?
The InChIKey is WLZVPHAFYCGHHT-BQBZGAKWSA-N. The full InChI is InChI=1S/C8H13Br/c9-5-8-6-3-1-2-4-7(6)8/h6-8H,1-5H2/t6-,7-/m0/s1.
What are the key properties of (1S,6S)-7-(bromomethyl)bicyclo[4.1.0]heptane?
(1S,6S)-7-(bromomethyl)bicyclo[4.1.0]heptane has a molecular weight of 189.10 g/mol, XLogP of 2.82, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,6S)-7-(bromomethyl)bicyclo[4.1.0]heptane is sourced from PubChem (CID 124598280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).