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

C10H14N2O2 — CID 137441431

IUPAC3-amino-1-[(3R)-oxan-3-yl]pyridin-2-one
SMILESNc1cccn([C@@H]2CCCOC2)c1=O
InChIInChI=1S/C10H14N2O2/c11-9-4-1-5-12(10(9)13)8-3-2-6-14-7-8/h1,4-5,8H,2-3,6-7,11H2/t8-/m1/s1
InChIKeyDNSQAHXNJHBTBH-MRVPVSSYSA-N
MW194.23 g/mol
LogP0.78
Rot. Bonds1

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

3-amino-1-[(3R)-oxan-3-yl]pyridin-2-one (PubChem CID 137441431) has the molecular formula C10H14N2O2 and a molecular weight of 194.23 g/mol. Its IUPAC name is 3-amino-1-[(3R)-oxan-3-yl]pyridin-2-one.

Molecular Properties

Compound Name3-amino-1-[(3R)-oxan-3-yl]pyridin-2-one
PubChem CID137441431
Molecular FormulaC10H14N2O2
Molecular Weight194.23 g/mol
Exact Mass194.11
IUPAC Name3-amino-1-[(3R)-oxan-3-yl]pyridin-2-one
SMILESNc1cccn([C@@H]2CCCOC2)c1=O
InChIInChI=1S/C10H14N2O2/c11-9-4-1-5-12(10(9)13)8-3-2-6-14-7-8/h1,4-5,8H,2-3,6-7,11H2/t8-/m1/s1
InChIKeyDNSQAHXNJHBTBH-MRVPVSSYSA-N
XLogP0.78
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 ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-amino-1-[(3R)-oxan-3-yl]pyridin-2-one?
The IUPAC name of 3-amino-1-[(3R)-oxan-3-yl]pyridin-2-one (CID 137441431) is 3-amino-1-[(3R)-oxan-3-yl]pyridin-2-one.
What is the SMILES notation for 3-amino-1-[(3R)-oxan-3-yl]pyridin-2-one?
The canonical SMILES for 3-amino-1-[(3R)-oxan-3-yl]pyridin-2-one is Nc1cccn([C@@H]2CCCOC2)c1=O.
What is the InChIKey of 3-amino-1-[(3R)-oxan-3-yl]pyridin-2-one?
The InChIKey is DNSQAHXNJHBTBH-MRVPVSSYSA-N. The full InChI is InChI=1S/C10H14N2O2/c11-9-4-1-5-12(10(9)13)8-3-2-6-14-7-8/h1,4-5,8H,2-3,6-7,11H2/t8-/m1/s1.
What are the key properties of 3-amino-1-[(3R)-oxan-3-yl]pyridin-2-one?
3-amino-1-[(3R)-oxan-3-yl]pyridin-2-one has a molecular weight of 194.23 g/mol, XLogP of 0.78, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-[(3R)-oxan-3-yl]pyridin-2-one is sourced from PubChem (CID 137441431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).