5-[(1S)-1-hydroxyethyl]-4-methyl-1H-pyridin-2-one

C8H11NO2 — CID 124502078

IUPAC5-[(1S)-1-hydroxyethyl]-4-methyl-1H-pyridin-2-one
SMILESCc1cc(=O)[nH]cc1[C@H](C)O
InChIInChI=1S/C8H11NO2/c1-5-3-8(11)9-4-7(5)6(2)10/h3-4,6,10H,1-2H3,(H,9,11)/t6-/m0/s1
InChIKeyPAIYSANORKYJQB-LURJTMIESA-N
MW153.18 g/mol
LogP0.74
Rot. Bonds1

About 5-[(1S)-1-hydroxyethyl]-4-methyl-1H-pyridin-2-one

5-[(1S)-1-hydroxyethyl]-4-methyl-1H-pyridin-2-one (PubChem CID 124502078) has the molecular formula C8H11NO2 and a molecular weight of 153.18 g/mol. Its IUPAC name is 5-[(1S)-1-hydroxyethyl]-4-methyl-1H-pyridin-2-one.

Molecular Properties

Compound Name5-[(1S)-1-hydroxyethyl]-4-methyl-1H-pyridin-2-one
PubChem CID124502078
Molecular FormulaC8H11NO2
Molecular Weight153.18 g/mol
Exact Mass153.08
IUPAC Name5-[(1S)-1-hydroxyethyl]-4-methyl-1H-pyridin-2-one
SMILESCc1cc(=O)[nH]cc1[C@H](C)O
InChIInChI=1S/C8H11NO2/c1-5-3-8(11)9-4-7(5)6(2)10/h3-4,6,10H,1-2H3,(H,9,11)/t6-/m0/s1
InChIKeyPAIYSANORKYJQB-LURJTMIESA-N
XLogP0.74
TPSA53.09 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.18
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-fluoro-4-(3-hydroxypropyl)-1H-pyridin-2-one
CID 172299820
5-(2-hydroxyethyl)-4-(trifluoromethyl)-1H-pyridin-2-one
CID 176690579
4-Fluoro-5-(hydroxymethyl)-1,2-dihydropyridin-2-one
CID 58047412
5-(hydroxymethyl)pyridin-2(1H)-one
CID 12018576
5-(1-Hydroxyethyl)-2(1H)-pyridinone
CID 18955889
7-[(E)-6-hydroxyhept-1-enyl]-2H-isoquinolin-3-one
CID 19352590
6-hydroxy-5-(1-hydroxyethyl)-4-methyl-1H-pyridin-2-one
CID 20037222
2-Hydroxy-5-(1-hydroxyhexyl)pyridine
CID 21280493
5-(Hydroxymethyl)-3-methylpyridin-2-ol
CID 53487793
7-(6-hydroxyhept-1-enyl)-2H-isoquinolin-3-one
CID 54339447
2(1H)-Pyridinone, 5-ethyl-4-hydroxy-
CID 54708327
2,4-Dihydroxy-5-hydroxymethylpyridine
CID 54718135

Frequently Asked Questions

What is the IUPAC name of 5-[(1S)-1-hydroxyethyl]-4-methyl-1H-pyridin-2-one?
The IUPAC name of 5-[(1S)-1-hydroxyethyl]-4-methyl-1H-pyridin-2-one (CID 124502078) is 5-[(1S)-1-hydroxyethyl]-4-methyl-1H-pyridin-2-one.
What is the SMILES notation for 5-[(1S)-1-hydroxyethyl]-4-methyl-1H-pyridin-2-one?
The canonical SMILES for 5-[(1S)-1-hydroxyethyl]-4-methyl-1H-pyridin-2-one is Cc1cc(=O)[nH]cc1[C@H](C)O.
What is the InChIKey of 5-[(1S)-1-hydroxyethyl]-4-methyl-1H-pyridin-2-one?
The InChIKey is PAIYSANORKYJQB-LURJTMIESA-N. The full InChI is InChI=1S/C8H11NO2/c1-5-3-8(11)9-4-7(5)6(2)10/h3-4,6,10H,1-2H3,(H,9,11)/t6-/m0/s1.
What are the key properties of 5-[(1S)-1-hydroxyethyl]-4-methyl-1H-pyridin-2-one?
5-[(1S)-1-hydroxyethyl]-4-methyl-1H-pyridin-2-one has a molecular weight of 153.18 g/mol, XLogP of 0.74, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1S)-1-hydroxyethyl]-4-methyl-1H-pyridin-2-one is sourced from PubChem (CID 124502078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).