4-bromotricyclo[6.2.1.02,7]undeca-2(7),3,5-triene;methane

C12H15Br — CID 159281045

IUPAC4-bromotricyclo[6.2.1.02,7]undeca-2(7),3,5-triene;methane
SMILESBrc1ccc2c(c1)C1CCC2C1.C
InChIInChI=1S/C11H11Br.CH4/c12-9-3-4-10-7-1-2-8(5-7)11(10)6-9;/h3-4,6-8H,1-2,5H2;1H4
InChIKeyKYXPSIFLIFKRFJ-UHFFFAOYSA-N
MW239.16 g/mol
LogP4.45
Rot. Bonds

About 4-bromotricyclo[6.2.1.02,7]undeca-2(7),3,5-triene;methane

4-bromotricyclo[6.2.1.02,7]undeca-2(7),3,5-triene;methane (PubChem CID 159281045) has the molecular formula C12H15Br and a molecular weight of 239.16 g/mol. Its IUPAC name is 4-bromotricyclo[6.2.1.02,7]undeca-2(7),3,5-triene;methane.

Molecular Properties

Compound Name4-bromotricyclo[6.2.1.02,7]undeca-2(7),3,5-triene;methane
PubChem CID159281045
Molecular FormulaC12H15Br
Molecular Weight239.16 g/mol
Exact Mass238.04
IUPAC Name4-bromotricyclo[6.2.1.02,7]undeca-2(7),3,5-triene;methane
SMILESBrc1ccc2c(c1)C1CCC2C1.C
InChIInChI=1S/C11H11Br.CH4/c12-9-3-4-10-7-1-2-8(5-7)11(10)6-9;/h3-4,6-8H,1-2,5H2;1H4
InChIKeyKYXPSIFLIFKRFJ-UHFFFAOYSA-N
XLogP4.45
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.16
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

4-bromo-10-azatricyclo[6.3.2.02,7]trideca-2(7),3,5-triene
CID 11345749
N,N-bis(4-bromophenyl)tricyclo[6.2.1.02,7]undeca-2(7),3,5-trien-4-amine
CID 142500167
5,12-dibromopentacyclo[14.2.1.02,15.03,8.09,14]nonadeca-2,4,6,8,10,12,14-heptaene
CID 139943356
(1S,5R)-3-(5-bromo-2-chlorophenyl)bicyclo[3.2.1]octane-2,4-dione
CID 91244197
3-N,3-N-bis(4-bromophenyl)-1-N,1-N-bis(4-methylphenyl)-5-(4-tricyclo[6.2.1.02,7]undeca-2(7),3,5-trienyl)benzene-1,3-diamine
CID 142500584
4-bromo-2-cyclopropylbenzonitrile
CID 66520958
(1S,8R)-4-ethyltricyclo[6.2.1.02,7]undeca-2(7),3,5-triene
CID 10797293
3-(5-bromo-2-fluorophenyl)-N-methylcyclopentan-1-amine
CID 79740032
5-bromo-3-methyltricyclo[6.2.1.02,7]undeca-2(7),3,5-triene
CID 90076893
(1S,8S)-tricyclo[6.2.1.02,7]undeca-2(7),3,5-triene-4-carboxylic acid
CID 124564050
4-[bis(4-bromophenyl)methyl]tetracyclo[8.3.1.18,12.02,7]pentadeca-2(7),3,5-triene
CID 149464837
ethane;tricyclo[6.2.1.02,7]undeca-2,4,6-triene
CID 91342553

Frequently Asked Questions

What is the IUPAC name of 4-bromotricyclo[6.2.1.02,7]undeca-2(7),3,5-triene;methane?
The IUPAC name of 4-bromotricyclo[6.2.1.02,7]undeca-2(7),3,5-triene;methane (CID 159281045) is 4-bromotricyclo[6.2.1.02,7]undeca-2(7),3,5-triene;methane.
What is the SMILES notation for 4-bromotricyclo[6.2.1.02,7]undeca-2(7),3,5-triene;methane?
The canonical SMILES for 4-bromotricyclo[6.2.1.02,7]undeca-2(7),3,5-triene;methane is Brc1ccc2c(c1)C1CCC2C1.C.
What is the InChIKey of 4-bromotricyclo[6.2.1.02,7]undeca-2(7),3,5-triene;methane?
The InChIKey is KYXPSIFLIFKRFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11Br.CH4/c12-9-3-4-10-7-1-2-8(5-7)11(10)6-9;/h3-4,6-8H,1-2,5H2;1H4.
What are the key properties of 4-bromotricyclo[6.2.1.02,7]undeca-2(7),3,5-triene;methane?
4-bromotricyclo[6.2.1.02,7]undeca-2(7),3,5-triene;methane has a molecular weight of 239.16 g/mol, XLogP of 4.45, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromotricyclo[6.2.1.02,7]undeca-2(7),3,5-triene;methane is sourced from PubChem (CID 159281045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).