2-(3-bromopropa-1,2-dienyl)-1,1-dimethylcyclopropane

C8H11Br — CID 88692183

IUPAC2-(3-bromopropa-1,2-dienyl)-1,1-dimethylcyclopropane
SMILESCC1(C)CC1C=C=CBr
InChIInChI=1S/C8H11Br/c1-8(2)6-7(8)4-3-5-9/h4-5,7H,6H2,1-2H3
InChIKeyQROSTJGWNVXZIL-UHFFFAOYSA-N
MW187.08 g/mol
LogP3.10
Rot. Bonds1

About 2-(3-bromopropa-1,2-dienyl)-1,1-dimethylcyclopropane

2-(3-bromopropa-1,2-dienyl)-1,1-dimethylcyclopropane (PubChem CID 88692183) has the molecular formula C8H11Br and a molecular weight of 187.08 g/mol. Its IUPAC name is 2-(3-bromopropa-1,2-dienyl)-1,1-dimethylcyclopropane.

Molecular Properties

Compound Name2-(3-bromopropa-1,2-dienyl)-1,1-dimethylcyclopropane
PubChem CID88692183
Molecular FormulaC8H11Br
Molecular Weight187.08 g/mol
Exact Mass186.00
IUPAC Name2-(3-bromopropa-1,2-dienyl)-1,1-dimethylcyclopropane
SMILESCC1(C)CC1C=C=CBr
InChIInChI=1S/C8H11Br/c1-8(2)6-7(8)4-3-5-9/h4-5,7H,6H2,1-2H3
InChIKeyQROSTJGWNVXZIL-UHFFFAOYSA-N
XLogP3.10
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.08
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 2-(3-bromopropa-1,2-dienyl)-1,1-dimethylcyclopropane?
The IUPAC name of 2-(3-bromopropa-1,2-dienyl)-1,1-dimethylcyclopropane (CID 88692183) is 2-(3-bromopropa-1,2-dienyl)-1,1-dimethylcyclopropane.
What is the SMILES notation for 2-(3-bromopropa-1,2-dienyl)-1,1-dimethylcyclopropane?
The canonical SMILES for 2-(3-bromopropa-1,2-dienyl)-1,1-dimethylcyclopropane is CC1(C)CC1C=C=CBr.
What is the InChIKey of 2-(3-bromopropa-1,2-dienyl)-1,1-dimethylcyclopropane?
The InChIKey is QROSTJGWNVXZIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11Br/c1-8(2)6-7(8)4-3-5-9/h4-5,7H,6H2,1-2H3.
What are the key properties of 2-(3-bromopropa-1,2-dienyl)-1,1-dimethylcyclopropane?
2-(3-bromopropa-1,2-dienyl)-1,1-dimethylcyclopropane has a molecular weight of 187.08 g/mol, XLogP of 3.10, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromopropa-1,2-dienyl)-1,1-dimethylcyclopropane is sourced from PubChem (CID 88692183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).