5-[(1R)-1-hydroxypropyl]-4-methyl-1H-pyridin-2-one

C9H13NO2 — CID 124502080

IUPAC5-[(1R)-1-hydroxypropyl]-4-methyl-1H-pyridin-2-one
SMILESCC[C@@H](O)c1c[nH]c(=O)cc1C
InChIInChI=1S/C9H13NO2/c1-3-8(11)7-5-10-9(12)4-6(7)2/h4-5,8,11H,3H2,1-2H3,(H,10,12)/t8-/m1/s1
InChIKeyVENCMYRCCCVNBE-MRVPVSSYSA-N
MW167.21 g/mol
LogP1.13
Rot. Bonds2

About 5-[(1R)-1-hydroxypropyl]-4-methyl-1H-pyridin-2-one

5-[(1R)-1-hydroxypropyl]-4-methyl-1H-pyridin-2-one (PubChem CID 124502080) has the molecular formula C9H13NO2 and a molecular weight of 167.21 g/mol. Its IUPAC name is 5-[(1R)-1-hydroxypropyl]-4-methyl-1H-pyridin-2-one.

Molecular Properties

Compound Name5-[(1R)-1-hydroxypropyl]-4-methyl-1H-pyridin-2-one
PubChem CID124502080
Molecular FormulaC9H13NO2
Molecular Weight167.21 g/mol
Exact Mass167.09
IUPAC Name5-[(1R)-1-hydroxypropyl]-4-methyl-1H-pyridin-2-one
SMILESCC[C@@H](O)c1c[nH]c(=O)cc1C
InChIInChI=1S/C9H13NO2/c1-3-8(11)7-5-10-9(12)4-6(7)2/h4-5,8,11H,3H2,1-2H3,(H,10,12)/t8-/m1/s1
InChIKeyVENCMYRCCCVNBE-MRVPVSSYSA-N
XLogP1.13
TPSA53.09 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.21
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-[(1R)-1-hydroxypropyl]-4-methyl-1H-pyridin-2-one?
The IUPAC name of 5-[(1R)-1-hydroxypropyl]-4-methyl-1H-pyridin-2-one (CID 124502080) is 5-[(1R)-1-hydroxypropyl]-4-methyl-1H-pyridin-2-one.
What is the SMILES notation for 5-[(1R)-1-hydroxypropyl]-4-methyl-1H-pyridin-2-one?
The canonical SMILES for 5-[(1R)-1-hydroxypropyl]-4-methyl-1H-pyridin-2-one is CC[C@@H](O)c1c[nH]c(=O)cc1C.
What is the InChIKey of 5-[(1R)-1-hydroxypropyl]-4-methyl-1H-pyridin-2-one?
The InChIKey is VENCMYRCCCVNBE-MRVPVSSYSA-N. The full InChI is InChI=1S/C9H13NO2/c1-3-8(11)7-5-10-9(12)4-6(7)2/h4-5,8,11H,3H2,1-2H3,(H,10,12)/t8-/m1/s1.
What are the key properties of 5-[(1R)-1-hydroxypropyl]-4-methyl-1H-pyridin-2-one?
5-[(1R)-1-hydroxypropyl]-4-methyl-1H-pyridin-2-one has a molecular weight of 167.21 g/mol, XLogP of 1.13, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1R)-1-hydroxypropyl]-4-methyl-1H-pyridin-2-one is sourced from PubChem (CID 124502080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).