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

C12H16N2O2 — CID 168662656

IUPAC1-(3,5-dimethyl-2-pyridinyl)-4-(hydroxymethyl)pyrrolidin-2-one
SMILESCc1cnc(N2CC(CO)CC2=O)c(C)c1
InChIInChI=1S/C12H16N2O2/c1-8-3-9(2)12(13-5-8)14-6-10(7-15)4-11(14)16/h3,5,10,15H,4,6-7H2,1-2H3
InChIKeyRHPLMXRHJRUYKV-UHFFFAOYSA-N
MW220.27 g/mol
LogP1.04
Rot. Bonds2

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

1-(3,5-dimethyl-2-pyridinyl)-4-(hydroxymethyl)pyrrolidin-2-one (PubChem CID 168662656) has the molecular formula C12H16N2O2 and a molecular weight of 220.27 g/mol. Its IUPAC name is 1-(3,5-dimethyl-2-pyridinyl)-4-(hydroxymethyl)pyrrolidin-2-one.

Molecular Properties

Compound Name1-(3,5-dimethyl-2-pyridinyl)-4-(hydroxymethyl)pyrrolidin-2-one
PubChem CID168662656
Molecular FormulaC12H16N2O2
Molecular Weight220.27 g/mol
Exact Mass220.12
IUPAC Name1-(3,5-dimethyl-2-pyridinyl)-4-(hydroxymethyl)pyrrolidin-2-one
SMILESCc1cnc(N2CC(CO)CC2=O)c(C)c1
InChIInChI=1S/C12H16N2O2/c1-8-3-9(2)12(13-5-8)14-6-10(7-15)4-11(14)16/h3,5,10,15H,4,6-7H2,1-2H3
InChIKeyRHPLMXRHJRUYKV-UHFFFAOYSA-N
XLogP1.04
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(bromomethyl)-1-(3,5-dimethyl-2-pyridinyl)pyrrolidin-2-one
CID 168504473
1-(3,5-dimethyl-2-pyridinyl)-5-oxopyrrolidine-3-carboxamide
CID 168696816
4-(hydroxymethyl)-1-(2-methylpyrimidin-5-yl)pyrrolidin-2-one
CID 168662722
1-(2-amino-4,6-dimethylphenyl)-4-(hydroxymethyl)pyrrolidin-2-one
CID 168662651
1-(3-bromo-5-chloro-2-pyridinyl)-4-(hydroxymethyl)pyrrolidin-2-one
CID 168663833
1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-4-(hydroxymethyl)pyrrolidin-2-one
CID 168663830
1-(4-hydroxy-2,6-dimethylphenyl)-4-(hydroxymethyl)pyrrolidin-2-one
CID 168662808
1-(3-amino-4-methylphenyl)-4-(hydroxymethyl)pyrrolidin-2-one
CID 168662678
4-(chloromethyl)-1-(5-methyl-3-nitro-2-pyridinyl)pyrrolidin-2-one
CID 168507973
1-(3-chloro-5-nitro-2-pyridinyl)-4-(hydroxymethyl)pyrrolidin-2-one
CID 168663840
1-(5-bromo-2-methoxy-4-pyridinyl)-4-(hydroxymethyl)pyrrolidin-2-one
CID 168662455
1-(3-bromo-5-methylphenyl)-4-(hydroxymethyl)pyrrolidin-2-one
CID 107579664

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethyl-2-pyridinyl)-4-(hydroxymethyl)pyrrolidin-2-one?
The IUPAC name of 1-(3,5-dimethyl-2-pyridinyl)-4-(hydroxymethyl)pyrrolidin-2-one (CID 168662656) is 1-(3,5-dimethyl-2-pyridinyl)-4-(hydroxymethyl)pyrrolidin-2-one.
What is the SMILES notation for 1-(3,5-dimethyl-2-pyridinyl)-4-(hydroxymethyl)pyrrolidin-2-one?
The canonical SMILES for 1-(3,5-dimethyl-2-pyridinyl)-4-(hydroxymethyl)pyrrolidin-2-one is Cc1cnc(N2CC(CO)CC2=O)c(C)c1.
What is the InChIKey of 1-(3,5-dimethyl-2-pyridinyl)-4-(hydroxymethyl)pyrrolidin-2-one?
The InChIKey is RHPLMXRHJRUYKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O2/c1-8-3-9(2)12(13-5-8)14-6-10(7-15)4-11(14)16/h3,5,10,15H,4,6-7H2,1-2H3.
What are the key properties of 1-(3,5-dimethyl-2-pyridinyl)-4-(hydroxymethyl)pyrrolidin-2-one?
1-(3,5-dimethyl-2-pyridinyl)-4-(hydroxymethyl)pyrrolidin-2-one has a molecular weight of 220.27 g/mol, XLogP of 1.04, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethyl-2-pyridinyl)-4-(hydroxymethyl)pyrrolidin-2-one is sourced from PubChem (CID 168662656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).