4-hydroxy-1-(6-propan-2-yl-2-pyridinyl)pyrrolidin-2-one

C12H16N2O2 — CID 168701889

IUPAC4-hydroxy-1-(6-propan-2-yl-2-pyridinyl)pyrrolidin-2-one
SMILESCC(C)c1cccc(N2CC(O)CC2=O)n1
InChIInChI=1S/C12H16N2O2/c1-8(2)10-4-3-5-11(13-10)14-7-9(15)6-12(14)16/h3-5,8-9,15H,6-7H2,1-2H3
InChIKeyCJCYYTVWUDECEU-UHFFFAOYSA-N
MW220.27 g/mol
LogP1.30
Rot. Bonds2

About 4-hydroxy-1-(6-propan-2-yl-2-pyridinyl)pyrrolidin-2-one

4-hydroxy-1-(6-propan-2-yl-2-pyridinyl)pyrrolidin-2-one (PubChem CID 168701889) has the molecular formula C12H16N2O2 and a molecular weight of 220.27 g/mol. Its IUPAC name is 4-hydroxy-1-(6-propan-2-yl-2-pyridinyl)pyrrolidin-2-one.

Molecular Properties

Compound Name4-hydroxy-1-(6-propan-2-yl-2-pyridinyl)pyrrolidin-2-one
PubChem CID168701889
Molecular FormulaC12H16N2O2
Molecular Weight220.27 g/mol
Exact Mass220.12
IUPAC Name4-hydroxy-1-(6-propan-2-yl-2-pyridinyl)pyrrolidin-2-one
SMILESCC(C)c1cccc(N2CC(O)CC2=O)n1
InChIInChI=1S/C12H16N2O2/c1-8(2)10-4-3-5-11(13-10)14-7-9(15)6-12(14)16/h3-5,8-9,15H,6-7H2,1-2H3
InChIKeyCJCYYTVWUDECEU-UHFFFAOYSA-N
XLogP1.30
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 ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-hydroxy-1-(6-iodopyridazin-3-yl)pyrrolidin-2-one
CID 168703466
2-(4-hydroxy-2-oxopyrrolidin-1-yl)-6-methylbenzoic acid
CID 168702711
1-(6-bromo-2-pyridinyl)-4-chloropyrrolidin-2-one
CID 168689770
2-(3-fluoropyrrolidin-1-yl)-6-propan-2-ylpyridine
CID 129154786
4-chloro-1-(6-methyl-2-pyridinyl)pyrrolidin-2-one
CID 168688343
2-chloro-6-(4-hydroxy-2-oxopyrrolidin-1-yl)pyridine-4-carboxylic acid
CID 168703795
1-(2-bromo-6-methylphenyl)-4-hydroxypyrrolidin-2-one
CID 168702702
1-(5-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-4-hydroxypyrrolidin-2-one
CID 168704149
1-[3-(dimethylamino)phenyl]-4-hydroxypyrrolidin-2-one
CID 115379164
1-(8-chloronaphthalen-1-yl)-4-hydroxypyrrolidin-2-one
CID 168703739
1-(6-amino-2-pyridinyl)-4-(hydroxymethyl)pyrrolidin-2-one
CID 168664121
4-(4-hydroxy-2-oxopyrrolidin-1-yl)benzoic acid
CID 168703419

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-1-(6-propan-2-yl-2-pyridinyl)pyrrolidin-2-one?
The IUPAC name of 4-hydroxy-1-(6-propan-2-yl-2-pyridinyl)pyrrolidin-2-one (CID 168701889) is 4-hydroxy-1-(6-propan-2-yl-2-pyridinyl)pyrrolidin-2-one.
What is the SMILES notation for 4-hydroxy-1-(6-propan-2-yl-2-pyridinyl)pyrrolidin-2-one?
The canonical SMILES for 4-hydroxy-1-(6-propan-2-yl-2-pyridinyl)pyrrolidin-2-one is CC(C)c1cccc(N2CC(O)CC2=O)n1.
What is the InChIKey of 4-hydroxy-1-(6-propan-2-yl-2-pyridinyl)pyrrolidin-2-one?
The InChIKey is CJCYYTVWUDECEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O2/c1-8(2)10-4-3-5-11(13-10)14-7-9(15)6-12(14)16/h3-5,8-9,15H,6-7H2,1-2H3.
What are the key properties of 4-hydroxy-1-(6-propan-2-yl-2-pyridinyl)pyrrolidin-2-one?
4-hydroxy-1-(6-propan-2-yl-2-pyridinyl)pyrrolidin-2-one has a molecular weight of 220.27 g/mol, XLogP of 1.30, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-1-(6-propan-2-yl-2-pyridinyl)pyrrolidin-2-one is sourced from PubChem (CID 168701889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).