1-bromopropan-2-ylcyclopropane

C6H11Br — CID 66470458

IUPAC1-bromopropan-2-ylcyclopropane
SMILESCC(CBr)C1CC1
InChIInChI=1S/C6H11Br/c1-5(4-7)6-2-3-6/h5-6H,2-4H2,1H3
InChIKeyHJDAZOPVBXDQBI-UHFFFAOYSA-N
MW163.06 g/mol
LogP2.43
Rot. Bonds2

About 1-bromopropan-2-ylcyclopropane

1-bromopropan-2-ylcyclopropane (PubChem CID 66470458) has the molecular formula C6H11Br and a molecular weight of 163.06 g/mol. Its IUPAC name is 1-bromopropan-2-ylcyclopropane.

Molecular Properties

Compound Name1-bromopropan-2-ylcyclopropane
PubChem CID66470458
Molecular FormulaC6H11Br
Molecular Weight163.06 g/mol
Exact Mass162.00
IUPAC Name1-bromopropan-2-ylcyclopropane
SMILESCC(CBr)C1CC1
InChIInChI=1S/C6H11Br/c1-5(4-7)6-2-3-6/h5-6H,2-4H2,1H3
InChIKeyHJDAZOPVBXDQBI-UHFFFAOYSA-N
XLogP2.43
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 ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 1-bromopropan-2-ylcyclopropane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-bromopropan-2-ylcyclopropane?
The IUPAC name of 1-bromopropan-2-ylcyclopropane (CID 66470458) is 1-bromopropan-2-ylcyclopropane.
What is the SMILES notation for 1-bromopropan-2-ylcyclopropane?
The canonical SMILES for 1-bromopropan-2-ylcyclopropane is CC(CBr)C1CC1.
What is the InChIKey of 1-bromopropan-2-ylcyclopropane?
The InChIKey is HJDAZOPVBXDQBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11Br/c1-5(4-7)6-2-3-6/h5-6H,2-4H2,1H3.
What are the key properties of 1-bromopropan-2-ylcyclopropane?
1-bromopropan-2-ylcyclopropane has a molecular weight of 163.06 g/mol, XLogP of 2.43, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromopropan-2-ylcyclopropane is sourced from PubChem (CID 66470458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).