1-[(2S)-2-hydroxypropyl]pyridin-4-one

C8H11NO2 — CID 103935362

IUPAC1-[(2S)-2-hydroxypropyl]pyridin-4-one
SMILESC[C@H](O)Cn1ccc(=O)cc1
InChIInChI=1S/C8H11NO2/c1-7(10)6-9-4-2-8(11)3-5-9/h2-5,7,10H,6H2,1H3/t7-/m0/s1
InChIKeyXYZHWFBZFBEXNM-ZETCQYMHSA-N
MW153.18 g/mol
LogP0.23
Rot. Bonds2

About 1-[(2S)-2-hydroxypropyl]pyridin-4-one

1-[(2S)-2-hydroxypropyl]pyridin-4-one (PubChem CID 103935362) has the molecular formula C8H11NO2 and a molecular weight of 153.18 g/mol. Its IUPAC name is 1-[(2S)-2-hydroxypropyl]pyridin-4-one.

Molecular Properties

Compound Name1-[(2S)-2-hydroxypropyl]pyridin-4-one
PubChem CID103935362
Molecular FormulaC8H11NO2
Molecular Weight153.18 g/mol
Exact Mass153.08
IUPAC Name1-[(2S)-2-hydroxypropyl]pyridin-4-one
SMILESC[C@H](O)Cn1ccc(=O)cc1
InChIInChI=1S/C8H11NO2/c1-7(10)6-9-4-2-8(11)3-5-9/h2-5,7,10H,6H2,1H3/t7-/m0/s1
InChIKeyXYZHWFBZFBEXNM-ZETCQYMHSA-N
XLogP0.23
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.18
LogP ≤ 50.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-2-hydroxypropyl]pyridin-4-one?
The IUPAC name of 1-[(2S)-2-hydroxypropyl]pyridin-4-one (CID 103935362) is 1-[(2S)-2-hydroxypropyl]pyridin-4-one.
What is the SMILES notation for 1-[(2S)-2-hydroxypropyl]pyridin-4-one?
The canonical SMILES for 1-[(2S)-2-hydroxypropyl]pyridin-4-one is C[C@H](O)Cn1ccc(=O)cc1.
What is the InChIKey of 1-[(2S)-2-hydroxypropyl]pyridin-4-one?
The InChIKey is XYZHWFBZFBEXNM-ZETCQYMHSA-N. The full InChI is InChI=1S/C8H11NO2/c1-7(10)6-9-4-2-8(11)3-5-9/h2-5,7,10H,6H2,1H3/t7-/m0/s1.
What are the key properties of 1-[(2S)-2-hydroxypropyl]pyridin-4-one?
1-[(2S)-2-hydroxypropyl]pyridin-4-one has a molecular weight of 153.18 g/mol, XLogP of 0.23, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-2-hydroxypropyl]pyridin-4-one is sourced from PubChem (CID 103935362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).