1-[(3-bromo-2-pyridinyl)methyl]-5-methylpyrrolidin-2-one

C11H13BrN2O — CID 130598530

IUPAC1-[(3-bromo-2-pyridinyl)methyl]-5-methylpyrrolidin-2-one
SMILESCC1CCC(=O)N1Cc1ncccc1Br
InChIInChI=1S/C11H13BrN2O/c1-8-4-5-11(15)14(8)7-10-9(12)3-2-6-13-10/h2-3,6,8H,4-5,7H2,1H3
InChIKeyUBOTZIBNXAAQJX-UHFFFAOYSA-N
MW269.14 g/mol
LogP2.36
Rot. Bonds2

About 1-[(3-bromo-2-pyridinyl)methyl]-5-methylpyrrolidin-2-one

1-[(3-bromo-2-pyridinyl)methyl]-5-methylpyrrolidin-2-one (PubChem CID 130598530) has the molecular formula C11H13BrN2O and a molecular weight of 269.14 g/mol. Its IUPAC name is 1-[(3-bromo-2-pyridinyl)methyl]-5-methylpyrrolidin-2-one.

Molecular Properties

Compound Name1-[(3-bromo-2-pyridinyl)methyl]-5-methylpyrrolidin-2-one
PubChem CID130598530
Molecular FormulaC11H13BrN2O
Molecular Weight269.14 g/mol
Exact Mass268.02
IUPAC Name1-[(3-bromo-2-pyridinyl)methyl]-5-methylpyrrolidin-2-one
SMILESCC1CCC(=O)N1Cc1ncccc1Br
InChIInChI=1S/C11H13BrN2O/c1-8-4-5-11(15)14(8)7-10-9(12)3-2-6-13-10/h2-3,6,8H,4-5,7H2,1H3
InChIKeyUBOTZIBNXAAQJX-UHFFFAOYSA-N
XLogP2.36
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 ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-methyl-1-(pyridin-3-ylmethyl)pyrrolidin-2-one
CID 132597790
1-[(2,6-dichlorophenyl)methyl]-5-methylpyrrolidin-2-one
CID 58733453
3-[(3-bromo-2-pyridinyl)methyl]-5-(2,2-dimethylpropyl)-1,3-diazinane-2,4-dione
CID 167779067
1-[(3-bromo-2-pyridinyl)methyl]-4-methylpyrrolidin-3-ol
CID 130979733
3-bromo-2-[(4-chloropiperidin-1-yl)methyl]pyridine
CID 130576197
1-(furan-2-ylmethyl)-5-methylpyrrolidin-2-one
CID 21364431
1-[[2-(chloromethyl)phenyl]methyl]-5-methylpyrrolidin-2-one
CID 19385519
1-[(5-chloropyrazin-2-yl)methyl]-5-methylpyrrolidin-2-one
CID 130598455
3-bromo-2-[(3-methylsulfanylpyrrolidin-1-yl)methyl]pyridine
CID 130757500
1-[(2-methoxyphenyl)methyl]-5-methylpyrrolidin-2-one
CID 58733507
(3R)-1-[(3-bromo-2-pyridinyl)methyl]pyrrolidin-3-ol
CID 130576098
(5R)-1-ethyl-5-methylpyrrolidin-2-one
CID 122427829

Frequently Asked Questions

What is the IUPAC name of 1-[(3-bromo-2-pyridinyl)methyl]-5-methylpyrrolidin-2-one?
The IUPAC name of 1-[(3-bromo-2-pyridinyl)methyl]-5-methylpyrrolidin-2-one (CID 130598530) is 1-[(3-bromo-2-pyridinyl)methyl]-5-methylpyrrolidin-2-one.
What is the SMILES notation for 1-[(3-bromo-2-pyridinyl)methyl]-5-methylpyrrolidin-2-one?
The canonical SMILES for 1-[(3-bromo-2-pyridinyl)methyl]-5-methylpyrrolidin-2-one is CC1CCC(=O)N1Cc1ncccc1Br.
What is the InChIKey of 1-[(3-bromo-2-pyridinyl)methyl]-5-methylpyrrolidin-2-one?
The InChIKey is UBOTZIBNXAAQJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrN2O/c1-8-4-5-11(15)14(8)7-10-9(12)3-2-6-13-10/h2-3,6,8H,4-5,7H2,1H3.
What are the key properties of 1-[(3-bromo-2-pyridinyl)methyl]-5-methylpyrrolidin-2-one?
1-[(3-bromo-2-pyridinyl)methyl]-5-methylpyrrolidin-2-one has a molecular weight of 269.14 g/mol, XLogP of 2.36, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-bromo-2-pyridinyl)methyl]-5-methylpyrrolidin-2-one is sourced from PubChem (CID 130598530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).