1-(5,6-dimethyl-3-pyridinyl)-4-hydroxypyrrolidin-2-one

C11H14N2O2 — CID 168702673

IUPAC1-(5,6-dimethyl-3-pyridinyl)-4-hydroxypyrrolidin-2-one
SMILESCc1cc(N2CC(O)CC2=O)cnc1C
InChIInChI=1S/C11H14N2O2/c1-7-3-9(5-12-8(7)2)13-6-10(14)4-11(13)15/h3,5,10,14H,4,6H2,1-2H3
InChIKeyAEJZASLFTQSMGR-UHFFFAOYSA-N
MW206.24 g/mol
LogP0.80
Rot. Bonds1

About 1-(5,6-dimethyl-3-pyridinyl)-4-hydroxypyrrolidin-2-one

1-(5,6-dimethyl-3-pyridinyl)-4-hydroxypyrrolidin-2-one (PubChem CID 168702673) has the molecular formula C11H14N2O2 and a molecular weight of 206.24 g/mol. Its IUPAC name is 1-(5,6-dimethyl-3-pyridinyl)-4-hydroxypyrrolidin-2-one.

Molecular Properties

Compound Name1-(5,6-dimethyl-3-pyridinyl)-4-hydroxypyrrolidin-2-one
PubChem CID168702673
Molecular FormulaC11H14N2O2
Molecular Weight206.24 g/mol
Exact Mass206.11
IUPAC Name1-(5,6-dimethyl-3-pyridinyl)-4-hydroxypyrrolidin-2-one
SMILESCc1cc(N2CC(O)CC2=O)cnc1C
InChIInChI=1S/C11H14N2O2/c1-7-3-9(5-12-8(7)2)13-6-10(14)4-11(13)15/h3,5,10,14H,4,6H2,1-2H3
InChIKeyAEJZASLFTQSMGR-UHFFFAOYSA-N
XLogP0.80
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.24
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-hydroxy-1-(4-hydroxy-3-methylphenyl)pyrrolidin-2-one
CID 168702485
1-(6-chloro-3-pyridinyl)-4-hydroxypyrrolidin-2-one
CID 168703439
1-(6-chloro-4-methyl-3-pyridinyl)-4-hydroxypyrrolidin-2-one
CID 168702660
6-(4-hydroxy-2-oxopyrrolidin-1-yl)-5-methylpyridine-3-carbonitrile
CID 168702638
1-(2,6-dichloro-4-pyridinyl)-4-hydroxypyrrolidin-2-one
CID 168703824
1-(6-chloro-5-methyl-3-pyridinyl)-4-sulfanylpyrrolidin-2-one
CID 168709041
1-(2-chloro-4-methylpyrimidin-5-yl)-4-hydroxypyrrolidin-2-one
CID 168702593
4-hydroxy-1-(1-methylbenzimidazol-5-yl)pyrrolidin-2-one
CID 168702802
1-(5-acetyl-4-methylpyrimidin-2-yl)-4-hydroxypyrrolidin-2-one
CID 168701935
1-(6-chloro-5-methyl-3-pyridinyl)-4-(sulfanylmethyl)pyrrolidin-2-one
CID 168670637
4-hydroxy-1-(2-methyl-1,3-benzoxazol-5-yl)pyrrolidin-2-one
CID 168702768
1-(5-chloropyrimidin-2-yl)-4-hydroxypyrrolidin-2-one
CID 168703639

Frequently Asked Questions

What is the IUPAC name of 1-(5,6-dimethyl-3-pyridinyl)-4-hydroxypyrrolidin-2-one?
The IUPAC name of 1-(5,6-dimethyl-3-pyridinyl)-4-hydroxypyrrolidin-2-one (CID 168702673) is 1-(5,6-dimethyl-3-pyridinyl)-4-hydroxypyrrolidin-2-one.
What is the SMILES notation for 1-(5,6-dimethyl-3-pyridinyl)-4-hydroxypyrrolidin-2-one?
The canonical SMILES for 1-(5,6-dimethyl-3-pyridinyl)-4-hydroxypyrrolidin-2-one is Cc1cc(N2CC(O)CC2=O)cnc1C.
What is the InChIKey of 1-(5,6-dimethyl-3-pyridinyl)-4-hydroxypyrrolidin-2-one?
The InChIKey is AEJZASLFTQSMGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O2/c1-7-3-9(5-12-8(7)2)13-6-10(14)4-11(13)15/h3,5,10,14H,4,6H2,1-2H3.
What are the key properties of 1-(5,6-dimethyl-3-pyridinyl)-4-hydroxypyrrolidin-2-one?
1-(5,6-dimethyl-3-pyridinyl)-4-hydroxypyrrolidin-2-one has a molecular weight of 206.24 g/mol, XLogP of 0.80, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5,6-dimethyl-3-pyridinyl)-4-hydroxypyrrolidin-2-one is sourced from PubChem (CID 168702673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).