(2-bromocyclopenten-1-yl)benzene

C11H11Br — CID 22917403

IUPAC(2-bromocyclopenten-1-yl)benzene
SMILESBrC1=C(c2ccccc2)CCC1
InChIInChI=1S/C11H11Br/c12-11-8-4-7-10(11)9-5-2-1-3-6-9/h1-3,5-6H,4,7-8H2
InChIKeyGKEIPFZTOLBISH-UHFFFAOYSA-N
MW223.11 g/mol
LogP3.98
Rot. Bonds1

About (2-bromocyclopenten-1-yl)benzene

(2-bromocyclopenten-1-yl)benzene (PubChem CID 22917403) has the molecular formula C11H11Br and a molecular weight of 223.11 g/mol. Its IUPAC name is (2-bromocyclopenten-1-yl)benzene.

Molecular Properties

Compound Name(2-bromocyclopenten-1-yl)benzene
PubChem CID22917403
Molecular FormulaC11H11Br
Molecular Weight223.11 g/mol
Exact Mass222.00
IUPAC Name(2-bromocyclopenten-1-yl)benzene
SMILESBrC1=C(c2ccccc2)CCC1
InChIInChI=1S/C11H11Br/c12-11-8-4-7-10(11)9-5-2-1-3-6-9/h1-3,5-6H,4,7-8H2
InChIKeyGKEIPFZTOLBISH-UHFFFAOYSA-N
XLogP3.98
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.11
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of (2-bromocyclopenten-1-yl)benzene?
The IUPAC name of (2-bromocyclopenten-1-yl)benzene (CID 22917403) is (2-bromocyclopenten-1-yl)benzene.
What is the SMILES notation for (2-bromocyclopenten-1-yl)benzene?
The canonical SMILES for (2-bromocyclopenten-1-yl)benzene is BrC1=C(c2ccccc2)CCC1.
What is the InChIKey of (2-bromocyclopenten-1-yl)benzene?
The InChIKey is GKEIPFZTOLBISH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11Br/c12-11-8-4-7-10(11)9-5-2-1-3-6-9/h1-3,5-6H,4,7-8H2.
What are the key properties of (2-bromocyclopenten-1-yl)benzene?
(2-bromocyclopenten-1-yl)benzene has a molecular weight of 223.11 g/mol, XLogP of 3.98, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (2-bromocyclopenten-1-yl)benzene is sourced from PubChem (CID 22917403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).