5-benzyl-2-bromo-2-methylcyclopentan-1-one

C13H15BrO — CID 163734589

IUPAC5-benzyl-2-bromo-2-methylcyclopentan-1-one
SMILESCC1(Br)CCC(Cc2ccccc2)C1=O
InChIInChI=1S/C13H15BrO/c1-13(14)8-7-11(12(13)15)9-10-5-3-2-4-6-10/h2-6,11H,7-9H2,1H3
InChIKeyLCMFZGRLMASQKQ-UHFFFAOYSA-N
MW267.17 g/mol
LogP3.36
Rot. Bonds2

About 5-benzyl-2-bromo-2-methylcyclopentan-1-one

5-benzyl-2-bromo-2-methylcyclopentan-1-one (PubChem CID 163734589) has the molecular formula C13H15BrO and a molecular weight of 267.17 g/mol. Its IUPAC name is 5-benzyl-2-bromo-2-methylcyclopentan-1-one.

Molecular Properties

Compound Name5-benzyl-2-bromo-2-methylcyclopentan-1-one
PubChem CID163734589
Molecular FormulaC13H15BrO
Molecular Weight267.17 g/mol
Exact Mass266.03
IUPAC Name5-benzyl-2-bromo-2-methylcyclopentan-1-one
SMILESCC1(Br)CCC(Cc2ccccc2)C1=O
InChIInChI=1S/C13H15BrO/c1-13(14)8-7-11(12(13)15)9-10-5-3-2-4-6-10/h2-6,11H,7-9H2,1H3
InChIKeyLCMFZGRLMASQKQ-UHFFFAOYSA-N
XLogP3.36
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.17
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 5-benzyl-2-bromo-2-methylcyclopentan-1-one?
The IUPAC name of 5-benzyl-2-bromo-2-methylcyclopentan-1-one (CID 163734589) is 5-benzyl-2-bromo-2-methylcyclopentan-1-one.
What is the SMILES notation for 5-benzyl-2-bromo-2-methylcyclopentan-1-one?
The canonical SMILES for 5-benzyl-2-bromo-2-methylcyclopentan-1-one is CC1(Br)CCC(Cc2ccccc2)C1=O.
What is the InChIKey of 5-benzyl-2-bromo-2-methylcyclopentan-1-one?
The InChIKey is LCMFZGRLMASQKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrO/c1-13(14)8-7-11(12(13)15)9-10-5-3-2-4-6-10/h2-6,11H,7-9H2,1H3.
What are the key properties of 5-benzyl-2-bromo-2-methylcyclopentan-1-one?
5-benzyl-2-bromo-2-methylcyclopentan-1-one has a molecular weight of 267.17 g/mol, XLogP of 3.36, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzyl-2-bromo-2-methylcyclopentan-1-one is sourced from PubChem (CID 163734589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).