2-bromo-1-cyclopropyl-3-ethenylbenzene

C11H11Br — CID 118269044

IUPAC2-bromo-1-cyclopropyl-3-ethenylbenzene
SMILESC=Cc1cccc(C2CC2)c1Br
InChIInChI=1S/C11H11Br/c1-2-8-4-3-5-10(11(8)12)9-6-7-9/h2-5,9H,1,6-7H2
InChIKeyHNPHXOFPJPLNTB-UHFFFAOYSA-N
MW223.11 g/mol
LogP3.97
Rot. Bonds2

About 2-bromo-1-cyclopropyl-3-ethenylbenzene

2-bromo-1-cyclopropyl-3-ethenylbenzene (PubChem CID 118269044) has the molecular formula C11H11Br and a molecular weight of 223.11 g/mol. Its IUPAC name is 2-bromo-1-cyclopropyl-3-ethenylbenzene.

Molecular Properties

Compound Name2-bromo-1-cyclopropyl-3-ethenylbenzene
PubChem CID118269044
Molecular FormulaC11H11Br
Molecular Weight223.11 g/mol
Exact Mass222.00
IUPAC Name2-bromo-1-cyclopropyl-3-ethenylbenzene
SMILESC=Cc1cccc(C2CC2)c1Br
InChIInChI=1S/C11H11Br/c1-2-8-4-3-5-10(11(8)12)9-6-7-9/h2-5,9H,1,6-7H2
InChIKeyHNPHXOFPJPLNTB-UHFFFAOYSA-N
XLogP3.97
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.11
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-1-cyclopropyl-3-ethenylbenzene?
The IUPAC name of 2-bromo-1-cyclopropyl-3-ethenylbenzene (CID 118269044) is 2-bromo-1-cyclopropyl-3-ethenylbenzene.
What is the SMILES notation for 2-bromo-1-cyclopropyl-3-ethenylbenzene?
The canonical SMILES for 2-bromo-1-cyclopropyl-3-ethenylbenzene is C=Cc1cccc(C2CC2)c1Br.
What is the InChIKey of 2-bromo-1-cyclopropyl-3-ethenylbenzene?
The InChIKey is HNPHXOFPJPLNTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11Br/c1-2-8-4-3-5-10(11(8)12)9-6-7-9/h2-5,9H,1,6-7H2.
What are the key properties of 2-bromo-1-cyclopropyl-3-ethenylbenzene?
2-bromo-1-cyclopropyl-3-ethenylbenzene has a molecular weight of 223.11 g/mol, XLogP of 3.97, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-1-cyclopropyl-3-ethenylbenzene is sourced from PubChem (CID 118269044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).