4-(bromomethyl)-1-(3,5-dimethyl-2-pyridinyl)pyrrolidin-2-one

C12H15BrN2O — CID 168504473

IUPAC4-(bromomethyl)-1-(3,5-dimethyl-2-pyridinyl)pyrrolidin-2-one
SMILESCc1cnc(N2CC(CBr)CC2=O)c(C)c1
InChIInChI=1S/C12H15BrN2O/c1-8-3-9(2)12(14-6-8)15-7-10(5-13)4-11(15)16/h3,6,10H,4-5,7H2,1-2H3
InChIKeyZTOVJKUJVWQCNE-UHFFFAOYSA-N
MW283.17 g/mol
LogP2.45
Rot. Bonds2

About 4-(bromomethyl)-1-(3,5-dimethyl-2-pyridinyl)pyrrolidin-2-one

4-(bromomethyl)-1-(3,5-dimethyl-2-pyridinyl)pyrrolidin-2-one (PubChem CID 168504473) has the molecular formula C12H15BrN2O and a molecular weight of 283.17 g/mol. Its IUPAC name is 4-(bromomethyl)-1-(3,5-dimethyl-2-pyridinyl)pyrrolidin-2-one.

Molecular Properties

Compound Name4-(bromomethyl)-1-(3,5-dimethyl-2-pyridinyl)pyrrolidin-2-one
PubChem CID168504473
Molecular FormulaC12H15BrN2O
Molecular Weight283.17 g/mol
Exact Mass282.04
IUPAC Name4-(bromomethyl)-1-(3,5-dimethyl-2-pyridinyl)pyrrolidin-2-one
SMILESCc1cnc(N2CC(CBr)CC2=O)c(C)c1
InChIInChI=1S/C12H15BrN2O/c1-8-3-9(2)12(14-6-8)15-7-10(5-13)4-11(15)16/h3,6,10H,4-5,7H2,1-2H3
InChIKeyZTOVJKUJVWQCNE-UHFFFAOYSA-N
XLogP2.45
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.17
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(3,5-dimethyl-2-pyridinyl)-4-(hydroxymethyl)pyrrolidin-2-one
CID 168662656
4-(bromomethyl)-1-(5-methyl-2-pyridinyl)pyrrolidin-2-one
CID 168504458
4-(bromomethyl)-1-(6-methoxy-4-methyl-3-pyridinyl)pyrrolidin-2-one
CID 168504650
1-(3,5-dimethyl-2-pyridinyl)-5-oxopyrrolidine-3-carboxamide
CID 168696816
1-(3-aminopyrazin-2-yl)-4-(bromomethyl)pyrrolidin-2-one
CID 168506379
4-(bromomethyl)-1-(6-methyl-3-pyridinyl)pyrrolidin-2-one
CID 168504461
4-(bromomethyl)-1-(5-methyl-1H-pyrazol-3-yl)pyrrolidin-2-one
CID 168504725
1-(3-amino-5-bromo-6-methyl-2-pyridinyl)-4-(bromomethyl)pyrrolidin-2-one
CID 168504536
4-(chloromethyl)-1-(5-methyl-3-nitro-2-pyridinyl)pyrrolidin-2-one
CID 168507973
4-(bromomethyl)-1-(3-methylphenyl)pyrrolidin-2-one
CID 168504686
4-(bromomethyl)-1-(4-hydroxy-3-methylphenyl)pyrrolidin-2-one
CID 168504407
1-(5-bromo-4,6-dimethyl-2-pyridinyl)-4-(bromomethyl)pyrrolidin-2-one
CID 168504642

Frequently Asked Questions

What is the IUPAC name of 4-(bromomethyl)-1-(3,5-dimethyl-2-pyridinyl)pyrrolidin-2-one?
The IUPAC name of 4-(bromomethyl)-1-(3,5-dimethyl-2-pyridinyl)pyrrolidin-2-one (CID 168504473) is 4-(bromomethyl)-1-(3,5-dimethyl-2-pyridinyl)pyrrolidin-2-one.
What is the SMILES notation for 4-(bromomethyl)-1-(3,5-dimethyl-2-pyridinyl)pyrrolidin-2-one?
The canonical SMILES for 4-(bromomethyl)-1-(3,5-dimethyl-2-pyridinyl)pyrrolidin-2-one is Cc1cnc(N2CC(CBr)CC2=O)c(C)c1.
What is the InChIKey of 4-(bromomethyl)-1-(3,5-dimethyl-2-pyridinyl)pyrrolidin-2-one?
The InChIKey is ZTOVJKUJVWQCNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrN2O/c1-8-3-9(2)12(14-6-8)15-7-10(5-13)4-11(15)16/h3,6,10H,4-5,7H2,1-2H3.
What are the key properties of 4-(bromomethyl)-1-(3,5-dimethyl-2-pyridinyl)pyrrolidin-2-one?
4-(bromomethyl)-1-(3,5-dimethyl-2-pyridinyl)pyrrolidin-2-one has a molecular weight of 283.17 g/mol, XLogP of 2.45, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(bromomethyl)-1-(3,5-dimethyl-2-pyridinyl)pyrrolidin-2-one is sourced from PubChem (CID 168504473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).