1-[(2S)-2-hydroxycyclobutyl]-3-methylpyridin-2-one

C10H13NO2 — CID 166507271

IUPAC1-[(2S)-2-hydroxycyclobutyl]-3-methylpyridin-2-one
SMILESCc1cccn(C2CC[C@@H]2O)c1=O
InChIInChI=1S/C10H13NO2/c1-7-3-2-6-11(10(7)13)8-4-5-9(8)12/h2-3,6,8-9,12H,4-5H2,1H3/t8?,9-/m0/s1
InChIKeyYDBJEAUPCLFZAO-GKAPJAKFSA-N
MW179.22 g/mol
LogP0.85
Rot. Bonds1

About 1-[(2S)-2-hydroxycyclobutyl]-3-methylpyridin-2-one

1-[(2S)-2-hydroxycyclobutyl]-3-methylpyridin-2-one (PubChem CID 166507271) has the molecular formula C10H13NO2 and a molecular weight of 179.22 g/mol. Its IUPAC name is 1-[(2S)-2-hydroxycyclobutyl]-3-methylpyridin-2-one.

Molecular Properties

Compound Name1-[(2S)-2-hydroxycyclobutyl]-3-methylpyridin-2-one
PubChem CID166507271
Molecular FormulaC10H13NO2
Molecular Weight179.22 g/mol
Exact Mass179.09
IUPAC Name1-[(2S)-2-hydroxycyclobutyl]-3-methylpyridin-2-one
SMILESCc1cccn(C2CC[C@@H]2O)c1=O
InChIInChI=1S/C10H13NO2/c1-7-3-2-6-11(10(7)13)8-4-5-9(8)12/h2-3,6,8-9,12H,4-5H2,1H3/t8?,9-/m0/s1
InChIKeyYDBJEAUPCLFZAO-GKAPJAKFSA-N
XLogP0.85
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.22
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-2-hydroxycyclobutyl]-3-methylpyridin-2-one?
The IUPAC name of 1-[(2S)-2-hydroxycyclobutyl]-3-methylpyridin-2-one (CID 166507271) is 1-[(2S)-2-hydroxycyclobutyl]-3-methylpyridin-2-one.
What is the SMILES notation for 1-[(2S)-2-hydroxycyclobutyl]-3-methylpyridin-2-one?
The canonical SMILES for 1-[(2S)-2-hydroxycyclobutyl]-3-methylpyridin-2-one is Cc1cccn(C2CC[C@@H]2O)c1=O.
What is the InChIKey of 1-[(2S)-2-hydroxycyclobutyl]-3-methylpyridin-2-one?
The InChIKey is YDBJEAUPCLFZAO-GKAPJAKFSA-N. The full InChI is InChI=1S/C10H13NO2/c1-7-3-2-6-11(10(7)13)8-4-5-9(8)12/h2-3,6,8-9,12H,4-5H2,1H3/t8?,9-/m0/s1.
What are the key properties of 1-[(2S)-2-hydroxycyclobutyl]-3-methylpyridin-2-one?
1-[(2S)-2-hydroxycyclobutyl]-3-methylpyridin-2-one has a molecular weight of 179.22 g/mol, XLogP of 0.85, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-2-hydroxycyclobutyl]-3-methylpyridin-2-one is sourced from PubChem (CID 166507271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).