2-(bromomethyl)-1,1-dimethylcyclopropane

C6H11Br — CID 15835752

IUPAC2-(bromomethyl)-1,1-dimethylcyclopropane
SMILESCC1(C)CC1CBr
InChIInChI=1S/C6H11Br/c1-6(2)3-5(6)4-7/h5H,3-4H2,1-2H3
InChIKeyXMQINJYPBUNQJO-UHFFFAOYSA-N
MW163.06 g/mol
LogP2.43
Rot. Bonds1

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

2-(bromomethyl)-1,1-dimethylcyclopropane (PubChem CID 15835752) has the molecular formula C6H11Br and a molecular weight of 163.06 g/mol. Its IUPAC name is 2-(bromomethyl)-1,1-dimethylcyclopropane.

Molecular Properties

Compound Name2-(bromomethyl)-1,1-dimethylcyclopropane
PubChem CID15835752
Molecular FormulaC6H11Br
Molecular Weight163.06 g/mol
Exact Mass162.00
IUPAC Name2-(bromomethyl)-1,1-dimethylcyclopropane
SMILESCC1(C)CC1CBr
InChIInChI=1S/C6H11Br/c1-6(2)3-5(6)4-7/h5H,3-4H2,1-2H3
InChIKeyXMQINJYPBUNQJO-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 2-(bromomethyl)-1,1-dimethylcyclopropane?
The IUPAC name of 2-(bromomethyl)-1,1-dimethylcyclopropane (CID 15835752) is 2-(bromomethyl)-1,1-dimethylcyclopropane.
What is the SMILES notation for 2-(bromomethyl)-1,1-dimethylcyclopropane?
The canonical SMILES for 2-(bromomethyl)-1,1-dimethylcyclopropane is CC1(C)CC1CBr.
What is the InChIKey of 2-(bromomethyl)-1,1-dimethylcyclopropane?
The InChIKey is XMQINJYPBUNQJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11Br/c1-6(2)3-5(6)4-7/h5H,3-4H2,1-2H3.
What are the key properties of 2-(bromomethyl)-1,1-dimethylcyclopropane?
2-(bromomethyl)-1,1-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 2-(bromomethyl)-1,1-dimethylcyclopropane is sourced from PubChem (CID 15835752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).