3-amino-1-[(1S,3S)-3-hydroxycyclohexyl]pyridin-2-one

C11H16N2O2 — CID 137450777

IUPAC3-amino-1-[(1S,3S)-3-hydroxycyclohexyl]pyridin-2-one
SMILESNc1cccn([C@H]2CCC[C@H](O)C2)c1=O
InChIInChI=1S/C11H16N2O2/c12-10-5-2-6-13(11(10)15)8-3-1-4-9(14)7-8/h2,5-6,8-9,14H,1,3-4,7,12H2/t8-,9-/m0/s1
InChIKeyHALIPTNEYGGPJK-IUCAKERBSA-N
MW208.26 g/mol
LogP0.91
Rot. Bonds1

About 3-amino-1-[(1S,3S)-3-hydroxycyclohexyl]pyridin-2-one

3-amino-1-[(1S,3S)-3-hydroxycyclohexyl]pyridin-2-one (PubChem CID 137450777) has the molecular formula C11H16N2O2 and a molecular weight of 208.26 g/mol. Its IUPAC name is 3-amino-1-[(1S,3S)-3-hydroxycyclohexyl]pyridin-2-one.

Molecular Properties

Compound Name3-amino-1-[(1S,3S)-3-hydroxycyclohexyl]pyridin-2-one
PubChem CID137450777
Molecular FormulaC11H16N2O2
Molecular Weight208.26 g/mol
Exact Mass208.12
IUPAC Name3-amino-1-[(1S,3S)-3-hydroxycyclohexyl]pyridin-2-one
SMILESNc1cccn([C@H]2CCC[C@H](O)C2)c1=O
InChIInChI=1S/C11H16N2O2/c12-10-5-2-6-13(11(10)15)8-3-1-4-9(14)7-8/h2,5-6,8-9,14H,1,3-4,7,12H2/t8-,9-/m0/s1
InChIKeyHALIPTNEYGGPJK-IUCAKERBSA-N
XLogP0.91
TPSA68.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-amino-1-[(1S,3S)-3-hydroxycyclohexyl]pyridin-2-one?
The IUPAC name of 3-amino-1-[(1S,3S)-3-hydroxycyclohexyl]pyridin-2-one (CID 137450777) is 3-amino-1-[(1S,3S)-3-hydroxycyclohexyl]pyridin-2-one.
What is the SMILES notation for 3-amino-1-[(1S,3S)-3-hydroxycyclohexyl]pyridin-2-one?
The canonical SMILES for 3-amino-1-[(1S,3S)-3-hydroxycyclohexyl]pyridin-2-one is Nc1cccn([C@H]2CCC[C@H](O)C2)c1=O.
What is the InChIKey of 3-amino-1-[(1S,3S)-3-hydroxycyclohexyl]pyridin-2-one?
The InChIKey is HALIPTNEYGGPJK-IUCAKERBSA-N. The full InChI is InChI=1S/C11H16N2O2/c12-10-5-2-6-13(11(10)15)8-3-1-4-9(14)7-8/h2,5-6,8-9,14H,1,3-4,7,12H2/t8-,9-/m0/s1.
What are the key properties of 3-amino-1-[(1S,3S)-3-hydroxycyclohexyl]pyridin-2-one?
3-amino-1-[(1S,3S)-3-hydroxycyclohexyl]pyridin-2-one has a molecular weight of 208.26 g/mol, XLogP of 0.91, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-[(1S,3S)-3-hydroxycyclohexyl]pyridin-2-one is sourced from PubChem (CID 137450777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).