1-(2-bromo-2-chloroethenyl)-2,3-dimethylcyclopentene

C9H12BrCl — CID 54431612

IUPAC1-(2-bromo-2-chloroethenyl)-2,3-dimethylcyclopentene
SMILESCC1=C(C=C(Cl)Br)CCC1C
InChIInChI=1S/C9H12BrCl/c1-6-3-4-8(7(6)2)5-9(10)11/h5-6H,3-4H2,1-2H3
InChIKeyWHWFFWLKZYZVQK-UHFFFAOYSA-N
MW235.55 g/mol
LogP4.21
Rot. Bonds1

About 1-(2-bromo-2-chloroethenyl)-2,3-dimethylcyclopentene

1-(2-bromo-2-chloroethenyl)-2,3-dimethylcyclopentene (PubChem CID 54431612) has the molecular formula C9H12BrCl and a molecular weight of 235.55 g/mol. Its IUPAC name is 1-(2-bromo-2-chloroethenyl)-2,3-dimethylcyclopentene.

Molecular Properties

Compound Name1-(2-bromo-2-chloroethenyl)-2,3-dimethylcyclopentene
PubChem CID54431612
Molecular FormulaC9H12BrCl
Molecular Weight235.55 g/mol
Exact Mass233.98
IUPAC Name1-(2-bromo-2-chloroethenyl)-2,3-dimethylcyclopentene
SMILESCC1=C(C=C(Cl)Br)CCC1C
InChIInChI=1S/C9H12BrCl/c1-6-3-4-8(7(6)2)5-9(10)11/h5-6H,3-4H2,1-2H3
InChIKeyWHWFFWLKZYZVQK-UHFFFAOYSA-N
XLogP4.21
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.55
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-2-chloroethenyl)-2,3-dimethylcyclopentene?
The IUPAC name of 1-(2-bromo-2-chloroethenyl)-2,3-dimethylcyclopentene (CID 54431612) is 1-(2-bromo-2-chloroethenyl)-2,3-dimethylcyclopentene.
What is the SMILES notation for 1-(2-bromo-2-chloroethenyl)-2,3-dimethylcyclopentene?
The canonical SMILES for 1-(2-bromo-2-chloroethenyl)-2,3-dimethylcyclopentene is CC1=C(C=C(Cl)Br)CCC1C.
What is the InChIKey of 1-(2-bromo-2-chloroethenyl)-2,3-dimethylcyclopentene?
The InChIKey is WHWFFWLKZYZVQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12BrCl/c1-6-3-4-8(7(6)2)5-9(10)11/h5-6H,3-4H2,1-2H3.
What are the key properties of 1-(2-bromo-2-chloroethenyl)-2,3-dimethylcyclopentene?
1-(2-bromo-2-chloroethenyl)-2,3-dimethylcyclopentene has a molecular weight of 235.55 g/mol, XLogP of 4.21, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-2-chloroethenyl)-2,3-dimethylcyclopentene is sourced from PubChem (CID 54431612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).