1-(bromomethyl)-1,2-dimethylcyclopropane

C6H11Br — CID 53373896

IUPAC1-(bromomethyl)-1,2-dimethylcyclopropane
SMILESCC1CC1(C)CBr
InChIInChI=1S/C6H11Br/c1-5-3-6(5,2)4-7/h5H,3-4H2,1-2H3
InChIKeySBWVUBDATZVARN-UHFFFAOYSA-N
MW163.06 g/mol
LogP2.43
Rot. Bonds1

About 1-(bromomethyl)-1,2-dimethylcyclopropane

1-(bromomethyl)-1,2-dimethylcyclopropane (PubChem CID 53373896) has the molecular formula C6H11Br and a molecular weight of 163.06 g/mol. Its IUPAC name is 1-(bromomethyl)-1,2-dimethylcyclopropane.

Molecular Properties

Compound Name1-(bromomethyl)-1,2-dimethylcyclopropane
PubChem CID53373896
Molecular FormulaC6H11Br
Molecular Weight163.06 g/mol
Exact Mass162.00
IUPAC Name1-(bromomethyl)-1,2-dimethylcyclopropane
SMILESCC1CC1(C)CBr
InChIInChI=1S/C6H11Br/c1-5-3-6(5,2)4-7/h5H,3-4H2,1-2H3
InChIKeySBWVUBDATZVARN-UHFFFAOYSA-N
XLogP2.43
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.06
LogP ≤ 52.43
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-(bromomethyl)-1,2-dimethylcyclopropane?
The IUPAC name of 1-(bromomethyl)-1,2-dimethylcyclopropane (CID 53373896) is 1-(bromomethyl)-1,2-dimethylcyclopropane.
What is the SMILES notation for 1-(bromomethyl)-1,2-dimethylcyclopropane?
The canonical SMILES for 1-(bromomethyl)-1,2-dimethylcyclopropane is CC1CC1(C)CBr.
What is the InChIKey of 1-(bromomethyl)-1,2-dimethylcyclopropane?
The InChIKey is SBWVUBDATZVARN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11Br/c1-5-3-6(5,2)4-7/h5H,3-4H2,1-2H3.
What are the key properties of 1-(bromomethyl)-1,2-dimethylcyclopropane?
1-(bromomethyl)-1,2-dimethylcyclopropane has a molecular weight of 163.06 g/mol, XLogP of 2.43, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(bromomethyl)-1,2-dimethylcyclopropane is sourced from PubChem (CID 53373896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).