2-bromopropylcyclopropane

C6H11Br — CID 67125934

IUPAC2-bromopropylcyclopropane
SMILESCC(Br)CC1CC1
InChIInChI=1S/C6H11Br/c1-5(7)4-6-2-3-6/h5-6H,2-4H2,1H3
InChIKeySZNCNIHVINUCML-UHFFFAOYSA-N
MW163.06 g/mol
LogP2.57
Rot. Bonds2

About 2-bromopropylcyclopropane

2-bromopropylcyclopropane (PubChem CID 67125934) has the molecular formula C6H11Br and a molecular weight of 163.06 g/mol. Its IUPAC name is 2-bromopropylcyclopropane.

Molecular Properties

Compound Name2-bromopropylcyclopropane
PubChem CID67125934
Molecular FormulaC6H11Br
Molecular Weight163.06 g/mol
Exact Mass162.00
IUPAC Name2-bromopropylcyclopropane
SMILESCC(Br)CC1CC1
InChIInChI=1S/C6H11Br/c1-5(7)4-6-2-3-6/h5-6H,2-4H2,1H3
InChIKeySZNCNIHVINUCML-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 2-bromopropylcyclopropane?
The IUPAC name of 2-bromopropylcyclopropane (CID 67125934) is 2-bromopropylcyclopropane.
What is the SMILES notation for 2-bromopropylcyclopropane?
The canonical SMILES for 2-bromopropylcyclopropane is CC(Br)CC1CC1.
What is the InChIKey of 2-bromopropylcyclopropane?
The InChIKey is SZNCNIHVINUCML-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11Br/c1-5(7)4-6-2-3-6/h5-6H,2-4H2,1H3.
What are the key properties of 2-bromopropylcyclopropane?
2-bromopropylcyclopropane 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 2-bromopropylcyclopropane is sourced from PubChem (CID 67125934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).