2-(bromomethyl)spiro[2.2]pentane

C6H9Br — CID 103439998

IUPAC2-(bromomethyl)spiro[2.2]pentane
SMILESBrCC1CC12CC2
InChIInChI=1S/C6H9Br/c7-4-5-3-6(5)1-2-6/h5H,1-4H2
InChIKeyDKEQLSWFBVKMOB-UHFFFAOYSA-N
MW161.04 g/mol
LogP2.18
Rot. Bonds1

About 2-(bromomethyl)spiro[2.2]pentane

2-(bromomethyl)spiro[2.2]pentane (PubChem CID 103439998) has the molecular formula C6H9Br and a molecular weight of 161.04 g/mol. Its IUPAC name is 2-(bromomethyl)spiro[2.2]pentane.

Molecular Properties

Compound Name2-(bromomethyl)spiro[2.2]pentane
PubChem CID103439998
Molecular FormulaC6H9Br
Molecular Weight161.04 g/mol
Exact Mass159.99
IUPAC Name2-(bromomethyl)spiro[2.2]pentane
SMILESBrCC1CC12CC2
InChIInChI=1S/C6H9Br/c7-4-5-3-6(5)1-2-6/h5H,1-4H2
InChIKeyDKEQLSWFBVKMOB-UHFFFAOYSA-N
XLogP2.18
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.04
LogP ≤ 52.18
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)spiro[2.2]pentane?
The IUPAC name of 2-(bromomethyl)spiro[2.2]pentane (CID 103439998) is 2-(bromomethyl)spiro[2.2]pentane.
What is the SMILES notation for 2-(bromomethyl)spiro[2.2]pentane?
The canonical SMILES for 2-(bromomethyl)spiro[2.2]pentane is BrCC1CC12CC2.
What is the InChIKey of 2-(bromomethyl)spiro[2.2]pentane?
The InChIKey is DKEQLSWFBVKMOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9Br/c7-4-5-3-6(5)1-2-6/h5H,1-4H2.
What are the key properties of 2-(bromomethyl)spiro[2.2]pentane?
2-(bromomethyl)spiro[2.2]pentane has a molecular weight of 161.04 g/mol, XLogP of 2.18, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(bromomethyl)spiro[2.2]pentane is sourced from PubChem (CID 103439998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).