3-[(2S)-azetidin-2-yl]-2,6-dimethyl-1H-pyridin-4-one

C10H14N2O — CID 55277200

IUPAC3-[(2S)-azetidin-2-yl]-2,6-dimethyl-1H-pyridin-4-one
SMILESCc1cc(=O)c([C@@H]2CCN2)c(C)[nH]1
InChIInChI=1S/C10H14N2O/c1-6-5-9(13)10(7(2)12-6)8-3-4-11-8/h5,8,11H,3-4H2,1-2H3,(H,12,13)/t8-/m0/s1
InChIKeyJWESSUJDQWHNKX-QMMMGPOBSA-N
MW178.24 g/mol
LogP1.03
Rot. Bonds1

About 3-[(2S)-azetidin-2-yl]-2,6-dimethyl-1H-pyridin-4-one

3-[(2S)-azetidin-2-yl]-2,6-dimethyl-1H-pyridin-4-one (PubChem CID 55277200) has the molecular formula C10H14N2O and a molecular weight of 178.24 g/mol. Its IUPAC name is 3-[(2S)-azetidin-2-yl]-2,6-dimethyl-1H-pyridin-4-one.

Molecular Properties

Compound Name3-[(2S)-azetidin-2-yl]-2,6-dimethyl-1H-pyridin-4-one
PubChem CID55277200
Molecular FormulaC10H14N2O
Molecular Weight178.24 g/mol
Exact Mass178.11
IUPAC Name3-[(2S)-azetidin-2-yl]-2,6-dimethyl-1H-pyridin-4-one
SMILESCc1cc(=O)c([C@@H]2CCN2)c(C)[nH]1
InChIInChI=1S/C10H14N2O/c1-6-5-9(13)10(7(2)12-6)8-3-4-11-8/h5,8,11H,3-4H2,1-2H3,(H,12,13)/t8-/m0/s1
InChIKeyJWESSUJDQWHNKX-QMMMGPOBSA-N
XLogP1.03
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.24
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[(2S)-azetidin-2-yl]-2,6-dimethyl-1H-pyridin-4-one?
The IUPAC name of 3-[(2S)-azetidin-2-yl]-2,6-dimethyl-1H-pyridin-4-one (CID 55277200) is 3-[(2S)-azetidin-2-yl]-2,6-dimethyl-1H-pyridin-4-one.
What is the SMILES notation for 3-[(2S)-azetidin-2-yl]-2,6-dimethyl-1H-pyridin-4-one?
The canonical SMILES for 3-[(2S)-azetidin-2-yl]-2,6-dimethyl-1H-pyridin-4-one is Cc1cc(=O)c([C@@H]2CCN2)c(C)[nH]1.
What is the InChIKey of 3-[(2S)-azetidin-2-yl]-2,6-dimethyl-1H-pyridin-4-one?
The InChIKey is JWESSUJDQWHNKX-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H14N2O/c1-6-5-9(13)10(7(2)12-6)8-3-4-11-8/h5,8,11H,3-4H2,1-2H3,(H,12,13)/t8-/m0/s1.
What are the key properties of 3-[(2S)-azetidin-2-yl]-2,6-dimethyl-1H-pyridin-4-one?
3-[(2S)-azetidin-2-yl]-2,6-dimethyl-1H-pyridin-4-one has a molecular weight of 178.24 g/mol, XLogP of 1.03, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2S)-azetidin-2-yl]-2,6-dimethyl-1H-pyridin-4-one is sourced from PubChem (CID 55277200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).