1-(2-bromoethyl)-1-methylcyclopropane

C6H11Br — CID 130830474

IUPAC1-(2-bromoethyl)-1-methylcyclopropane
SMILESCC1(CCBr)CC1
InChIInChI=1S/C6H11Br/c1-6(2-3-6)4-5-7/h2-5H2,1H3
InChIKeyIWXAQJREQAMFSH-UHFFFAOYSA-N
MW163.06 g/mol
LogP2.57
Rot. Bonds2

About 1-(2-bromoethyl)-1-methylcyclopropane

1-(2-bromoethyl)-1-methylcyclopropane (PubChem CID 130830474) has the molecular formula C6H11Br and a molecular weight of 163.06 g/mol. Its IUPAC name is 1-(2-bromoethyl)-1-methylcyclopropane.

Molecular Properties

Compound Name1-(2-bromoethyl)-1-methylcyclopropane
PubChem CID130830474
Molecular FormulaC6H11Br
Molecular Weight163.06 g/mol
Exact Mass162.00
IUPAC Name1-(2-bromoethyl)-1-methylcyclopropane
SMILESCC1(CCBr)CC1
InChIInChI=1S/C6H11Br/c1-6(2-3-6)4-5-7/h2-5H2,1H3
InChIKeyIWXAQJREQAMFSH-UHFFFAOYSA-N
XLogP2.57
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.06
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(2-bromoethyl)-1-methylcyclopropane?
The IUPAC name of 1-(2-bromoethyl)-1-methylcyclopropane (CID 130830474) is 1-(2-bromoethyl)-1-methylcyclopropane.
What is the SMILES notation for 1-(2-bromoethyl)-1-methylcyclopropane?
The canonical SMILES for 1-(2-bromoethyl)-1-methylcyclopropane is CC1(CCBr)CC1.
What is the InChIKey of 1-(2-bromoethyl)-1-methylcyclopropane?
The InChIKey is IWXAQJREQAMFSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11Br/c1-6(2-3-6)4-5-7/h2-5H2,1H3.
What are the key properties of 1-(2-bromoethyl)-1-methylcyclopropane?
1-(2-bromoethyl)-1-methylcyclopropane has a molecular weight of 163.06 g/mol, XLogP of 2.57, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromoethyl)-1-methylcyclopropane is sourced from PubChem (CID 130830474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).