3-amino-1-[(2S)-oxan-2-yl]pyridin-2-one

C10H14N2O2 — CID 139373542

IUPAC3-amino-1-[(2S)-oxan-2-yl]pyridin-2-one
SMILESNc1cccn([C@@H]2CCCCO2)c1=O
InChIInChI=1S/C10H14N2O2/c11-8-4-3-6-12(10(8)13)9-5-1-2-7-14-9/h3-4,6,9H,1-2,5,7,11H2/t9-/m0/s1
InChIKeyBESBOKAEIREKMA-VIFPVBQESA-N
MW194.23 g/mol
LogP1.13
Rot. Bonds1

About 3-amino-1-[(2S)-oxan-2-yl]pyridin-2-one

3-amino-1-[(2S)-oxan-2-yl]pyridin-2-one (PubChem CID 139373542) has the molecular formula C10H14N2O2 and a molecular weight of 194.23 g/mol. Its IUPAC name is 3-amino-1-[(2S)-oxan-2-yl]pyridin-2-one.

Molecular Properties

Compound Name3-amino-1-[(2S)-oxan-2-yl]pyridin-2-one
PubChem CID139373542
Molecular FormulaC10H14N2O2
Molecular Weight194.23 g/mol
Exact Mass194.11
IUPAC Name3-amino-1-[(2S)-oxan-2-yl]pyridin-2-one
SMILESNc1cccn([C@@H]2CCCCO2)c1=O
InChIInChI=1S/C10H14N2O2/c11-8-4-3-6-12(10(8)13)9-5-1-2-7-14-9/h3-4,6,9H,1-2,5,7,11H2/t9-/m0/s1
InChIKeyBESBOKAEIREKMA-VIFPVBQESA-N
XLogP1.13
TPSA57.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.23
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-amino-1-[(2S)-oxan-2-yl]pyridin-2-one?
The IUPAC name of 3-amino-1-[(2S)-oxan-2-yl]pyridin-2-one (CID 139373542) is 3-amino-1-[(2S)-oxan-2-yl]pyridin-2-one.
What is the SMILES notation for 3-amino-1-[(2S)-oxan-2-yl]pyridin-2-one?
The canonical SMILES for 3-amino-1-[(2S)-oxan-2-yl]pyridin-2-one is Nc1cccn([C@@H]2CCCCO2)c1=O.
What is the InChIKey of 3-amino-1-[(2S)-oxan-2-yl]pyridin-2-one?
The InChIKey is BESBOKAEIREKMA-VIFPVBQESA-N. The full InChI is InChI=1S/C10H14N2O2/c11-8-4-3-6-12(10(8)13)9-5-1-2-7-14-9/h3-4,6,9H,1-2,5,7,11H2/t9-/m0/s1.
What are the key properties of 3-amino-1-[(2S)-oxan-2-yl]pyridin-2-one?
3-amino-1-[(2S)-oxan-2-yl]pyridin-2-one has a molecular weight of 194.23 g/mol, XLogP of 1.13, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-[(2S)-oxan-2-yl]pyridin-2-one is sourced from PubChem (CID 139373542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).