4-(bromomethyl)-1-(5-methyl-2-pyridinyl)pyrrolidin-2-one

C11H13BrN2O — CID 168504458

IUPAC4-(bromomethyl)-1-(5-methyl-2-pyridinyl)pyrrolidin-2-one
SMILESCc1ccc(N2CC(CBr)CC2=O)nc1
InChIInChI=1S/C11H13BrN2O/c1-8-2-3-10(13-6-8)14-7-9(5-12)4-11(14)15/h2-3,6,9H,4-5,7H2,1H3
InChIKeyOQZDXWDXDSJZJQ-UHFFFAOYSA-N
MW269.14 g/mol
LogP2.14
Rot. Bonds2

About 4-(bromomethyl)-1-(5-methyl-2-pyridinyl)pyrrolidin-2-one

4-(bromomethyl)-1-(5-methyl-2-pyridinyl)pyrrolidin-2-one (PubChem CID 168504458) has the molecular formula C11H13BrN2O and a molecular weight of 269.14 g/mol. Its IUPAC name is 4-(bromomethyl)-1-(5-methyl-2-pyridinyl)pyrrolidin-2-one.

Molecular Properties

Compound Name4-(bromomethyl)-1-(5-methyl-2-pyridinyl)pyrrolidin-2-one
PubChem CID168504458
Molecular FormulaC11H13BrN2O
Molecular Weight269.14 g/mol
Exact Mass268.02
IUPAC Name4-(bromomethyl)-1-(5-methyl-2-pyridinyl)pyrrolidin-2-one
SMILESCc1ccc(N2CC(CBr)CC2=O)nc1
InChIInChI=1S/C11H13BrN2O/c1-8-2-3-10(13-6-8)14-7-9(5-12)4-11(14)15/h2-3,6,9H,4-5,7H2,1H3
InChIKeyOQZDXWDXDSJZJQ-UHFFFAOYSA-N
XLogP2.14
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.14
LogP ≤ 52.14
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

4-(bromomethyl)-1-(3,5-dimethyl-2-pyridinyl)pyrrolidin-2-one
CID 168504473
4-(bromomethyl)-1-(5-morpholin-4-yl-2-pyridinyl)pyrrolidin-2-one
CID 168505625
4-(bromomethyl)-1-(6-methyl-3-pyridinyl)pyrrolidin-2-one
CID 168504461
4-ethynyl-1-(5-methyl-2-pyridinyl)pyrrolidin-2-one
CID 168501135
4-(bromomethyl)-1-(5-methyl-1H-pyrazol-3-yl)pyrrolidin-2-one
CID 168504725
4-(bromomethyl)-1-(3-methylphenyl)pyrrolidin-2-one
CID 168504686
2-[3-(bromomethyl)pyrrolidin-1-yl]-5-methylpyridine
CID 80679968
6-methyl-4-(5-methyl-2-pyridinyl)morpholin-3-one
CID 123331755
4-(bromomethyl)-1-(2-hydroxy-4-methylphenyl)pyrrolidin-2-one
CID 168504445
4-(bromomethyl)-1-(6-methoxy-4-methyl-3-pyridinyl)pyrrolidin-2-one
CID 168504650
4-(bromomethyl)-1-(6-chloro-3-pyridinyl)pyrrolidin-2-one
CID 168505603
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-(5-methyl-2-pyridinyl)pyrrolidin-2-one?
The IUPAC name of 4-(bromomethyl)-1-(5-methyl-2-pyridinyl)pyrrolidin-2-one (CID 168504458) is 4-(bromomethyl)-1-(5-methyl-2-pyridinyl)pyrrolidin-2-one.
What is the SMILES notation for 4-(bromomethyl)-1-(5-methyl-2-pyridinyl)pyrrolidin-2-one?
The canonical SMILES for 4-(bromomethyl)-1-(5-methyl-2-pyridinyl)pyrrolidin-2-one is Cc1ccc(N2CC(CBr)CC2=O)nc1.
What is the InChIKey of 4-(bromomethyl)-1-(5-methyl-2-pyridinyl)pyrrolidin-2-one?
The InChIKey is OQZDXWDXDSJZJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrN2O/c1-8-2-3-10(13-6-8)14-7-9(5-12)4-11(14)15/h2-3,6,9H,4-5,7H2,1H3.
What are the key properties of 4-(bromomethyl)-1-(5-methyl-2-pyridinyl)pyrrolidin-2-one?
4-(bromomethyl)-1-(5-methyl-2-pyridinyl)pyrrolidin-2-one has a molecular weight of 269.14 g/mol, XLogP of 2.14, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(bromomethyl)-1-(5-methyl-2-pyridinyl)pyrrolidin-2-one is sourced from PubChem (CID 168504458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).