5-(bromomethyl)-1-cyclopentyl-3,3-dimethylpyrrolidin-2-one

C12H20BrNO — CID 11254323

IUPAC5-(bromomethyl)-1-cyclopentyl-3,3-dimethylpyrrolidin-2-one
SMILESCC1(C)CC(CBr)N(C2CCCC2)C1=O
InChIInChI=1S/C12H20BrNO/c1-12(2)7-10(8-13)14(11(12)15)9-5-3-4-6-9/h9-10H,3-8H2,1-2H3
InChIKeyJJVQHPCMTMSNBI-UHFFFAOYSA-N
MW274.20 g/mol
LogP2.95
Rot. Bonds2

About 5-(bromomethyl)-1-cyclopentyl-3,3-dimethylpyrrolidin-2-one

5-(bromomethyl)-1-cyclopentyl-3,3-dimethylpyrrolidin-2-one (PubChem CID 11254323) has the molecular formula C12H20BrNO and a molecular weight of 274.20 g/mol. Its IUPAC name is 5-(bromomethyl)-1-cyclopentyl-3,3-dimethylpyrrolidin-2-one.

Molecular Properties

Compound Name5-(bromomethyl)-1-cyclopentyl-3,3-dimethylpyrrolidin-2-one
PubChem CID11254323
Molecular FormulaC12H20BrNO
Molecular Weight274.20 g/mol
Exact Mass273.07
IUPAC Name5-(bromomethyl)-1-cyclopentyl-3,3-dimethylpyrrolidin-2-one
SMILESCC1(C)CC(CBr)N(C2CCCC2)C1=O
InChIInChI=1S/C12H20BrNO/c1-12(2)7-10(8-13)14(11(12)15)9-5-3-4-6-9/h9-10H,3-8H2,1-2H3
InChIKeyJJVQHPCMTMSNBI-UHFFFAOYSA-N
XLogP2.95
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.20
LogP ≤ 52.95
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-(bromomethyl)-1-cyclopentyl-3,3-dimethylpyrrolidin-2-one?
The IUPAC name of 5-(bromomethyl)-1-cyclopentyl-3,3-dimethylpyrrolidin-2-one (CID 11254323) is 5-(bromomethyl)-1-cyclopentyl-3,3-dimethylpyrrolidin-2-one.
What is the SMILES notation for 5-(bromomethyl)-1-cyclopentyl-3,3-dimethylpyrrolidin-2-one?
The canonical SMILES for 5-(bromomethyl)-1-cyclopentyl-3,3-dimethylpyrrolidin-2-one is CC1(C)CC(CBr)N(C2CCCC2)C1=O.
What is the InChIKey of 5-(bromomethyl)-1-cyclopentyl-3,3-dimethylpyrrolidin-2-one?
The InChIKey is JJVQHPCMTMSNBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20BrNO/c1-12(2)7-10(8-13)14(11(12)15)9-5-3-4-6-9/h9-10H,3-8H2,1-2H3.
What are the key properties of 5-(bromomethyl)-1-cyclopentyl-3,3-dimethylpyrrolidin-2-one?
5-(bromomethyl)-1-cyclopentyl-3,3-dimethylpyrrolidin-2-one has a molecular weight of 274.20 g/mol, XLogP of 2.95, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(bromomethyl)-1-cyclopentyl-3,3-dimethylpyrrolidin-2-one is sourced from PubChem (CID 11254323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).