3-bromo-4-ethyltricyclo[6.2.1.02,7]undeca-2(7),3,5-triene

C13H15Br — CID 177145324

IUPAC3-bromo-4-ethyltricyclo[6.2.1.02,7]undeca-2(7),3,5-triene
SMILESCCc1ccc2c(c1Br)C1CCC2C1
InChIInChI=1S/C13H15Br/c1-2-8-5-6-11-9-3-4-10(7-9)12(11)13(8)14/h5-6,9-10H,2-4,7H2,1H3
InChIKeyWCBSMEUMAILTAI-UHFFFAOYSA-N
MW251.17 g/mol
LogP4.38
Rot. Bonds1

About 3-bromo-4-ethyltricyclo[6.2.1.02,7]undeca-2(7),3,5-triene

3-bromo-4-ethyltricyclo[6.2.1.02,7]undeca-2(7),3,5-triene (PubChem CID 177145324) has the molecular formula C13H15Br and a molecular weight of 251.17 g/mol. Its IUPAC name is 3-bromo-4-ethyltricyclo[6.2.1.02,7]undeca-2(7),3,5-triene.

Molecular Properties

Compound Name3-bromo-4-ethyltricyclo[6.2.1.02,7]undeca-2(7),3,5-triene
PubChem CID177145324
Molecular FormulaC13H15Br
Molecular Weight251.17 g/mol
Exact Mass250.04
IUPAC Name3-bromo-4-ethyltricyclo[6.2.1.02,7]undeca-2(7),3,5-triene
SMILESCCc1ccc2c(c1Br)C1CCC2C1
InChIInChI=1S/C13H15Br/c1-2-8-5-6-11-9-3-4-10(7-9)12(11)13(8)14/h5-6,9-10H,2-4,7H2,1H3
InChIKeyWCBSMEUMAILTAI-UHFFFAOYSA-N
XLogP4.38
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.17
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2-Bromo-9H-fluorene
CID 14336
5-Bromoacenaphthene
CID 74923
3-Bromo-1,2,4,5-tetramethylbenzene
CID 74240
3-bromo-9H-fluorene
CID 11959045
4-bromo-2,2-dimethyl-2,3-dihydro-1H-indene
CID 129321619
4-bromo-2,3-dihydro-1H-indene
CID 11745586
Acenaphthylene, 5,6-dibromo-1,2-dihydro-
CID 146477
1-Bromo-2,3,5-trimethylbenzene
CID 290576
4-bromo-7-methyl-2,3-dihydro-1H-indene
CID 22951494
4-Bromo-9,9-dimethyl-9H-fluorene
CID 59182836
6-bromo-4-methyl-2,3-dihydro-1H-indene
CID 84026380
2-Bromo-1,3,4-trimethylbenzene
CID 300038

Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-ethyltricyclo[6.2.1.02,7]undeca-2(7),3,5-triene?
The IUPAC name of 3-bromo-4-ethyltricyclo[6.2.1.02,7]undeca-2(7),3,5-triene (CID 177145324) is 3-bromo-4-ethyltricyclo[6.2.1.02,7]undeca-2(7),3,5-triene.
What is the SMILES notation for 3-bromo-4-ethyltricyclo[6.2.1.02,7]undeca-2(7),3,5-triene?
The canonical SMILES for 3-bromo-4-ethyltricyclo[6.2.1.02,7]undeca-2(7),3,5-triene is CCc1ccc2c(c1Br)C1CCC2C1.
What is the InChIKey of 3-bromo-4-ethyltricyclo[6.2.1.02,7]undeca-2(7),3,5-triene?
The InChIKey is WCBSMEUMAILTAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15Br/c1-2-8-5-6-11-9-3-4-10(7-9)12(11)13(8)14/h5-6,9-10H,2-4,7H2,1H3.
What are the key properties of 3-bromo-4-ethyltricyclo[6.2.1.02,7]undeca-2(7),3,5-triene?
3-bromo-4-ethyltricyclo[6.2.1.02,7]undeca-2(7),3,5-triene has a molecular weight of 251.17 g/mol, XLogP of 4.38, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-4-ethyltricyclo[6.2.1.02,7]undeca-2(7),3,5-triene is sourced from PubChem (CID 177145324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).