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

C11H16N2O2 — CID 139373545

IUPAC3-(methylamino)-1-[(3S)-oxan-3-yl]pyridin-2-one
SMILESCNc1cccn([C@H]2CCCOC2)c1=O
InChIInChI=1S/C11H16N2O2/c1-12-10-5-2-6-13(11(10)14)9-4-3-7-15-8-9/h2,5-6,9,12H,3-4,7-8H2,1H3/t9-/m0/s1
InChIKeyVOHCZPBBHYVICA-VIFPVBQESA-N
MW208.26 g/mol
LogP1.24
Rot. Bonds2

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

3-(methylamino)-1-[(3S)-oxan-3-yl]pyridin-2-one (PubChem CID 139373545) has the molecular formula C11H16N2O2 and a molecular weight of 208.26 g/mol. Its IUPAC name is 3-(methylamino)-1-[(3S)-oxan-3-yl]pyridin-2-one.

Molecular Properties

Compound Name3-(methylamino)-1-[(3S)-oxan-3-yl]pyridin-2-one
PubChem CID139373545
Molecular FormulaC11H16N2O2
Molecular Weight208.26 g/mol
Exact Mass208.12
IUPAC Name3-(methylamino)-1-[(3S)-oxan-3-yl]pyridin-2-one
SMILESCNc1cccn([C@H]2CCCOC2)c1=O
InChIInChI=1S/C11H16N2O2/c1-12-10-5-2-6-13(11(10)14)9-4-3-7-15-8-9/h2,5-6,9,12H,3-4,7-8H2,1H3/t9-/m0/s1
InChIKeyVOHCZPBBHYVICA-VIFPVBQESA-N
XLogP1.24
TPSA43.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(methylamino)-1-[(3S)-oxan-3-yl]pyridin-2-one?
The IUPAC name of 3-(methylamino)-1-[(3S)-oxan-3-yl]pyridin-2-one (CID 139373545) is 3-(methylamino)-1-[(3S)-oxan-3-yl]pyridin-2-one.
What is the SMILES notation for 3-(methylamino)-1-[(3S)-oxan-3-yl]pyridin-2-one?
The canonical SMILES for 3-(methylamino)-1-[(3S)-oxan-3-yl]pyridin-2-one is CNc1cccn([C@H]2CCCOC2)c1=O.
What is the InChIKey of 3-(methylamino)-1-[(3S)-oxan-3-yl]pyridin-2-one?
The InChIKey is VOHCZPBBHYVICA-VIFPVBQESA-N. The full InChI is InChI=1S/C11H16N2O2/c1-12-10-5-2-6-13(11(10)14)9-4-3-7-15-8-9/h2,5-6,9,12H,3-4,7-8H2,1H3/t9-/m0/s1.
What are the key properties of 3-(methylamino)-1-[(3S)-oxan-3-yl]pyridin-2-one?
3-(methylamino)-1-[(3S)-oxan-3-yl]pyridin-2-one has a molecular weight of 208.26 g/mol, XLogP of 1.24, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methylamino)-1-[(3S)-oxan-3-yl]pyridin-2-one is sourced from PubChem (CID 139373545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).