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

C10H14N2O2 — CID 137457484

IUPAC3-amino-1-[(1S,2R)-2-hydroxycyclopentyl]pyridin-2-one
SMILESNc1cccn([C@H]2CCC[C@H]2O)c1=O
InChIInChI=1S/C10H14N2O2/c11-7-3-2-6-12(10(7)14)8-4-1-5-9(8)13/h2-3,6,8-9,13H,1,4-5,11H2/t8-,9+/m0/s1
InChIKeyPHTBHHJIDZYIHB-DTWKUNHWSA-N
MW194.23 g/mol
LogP0.52
Rot. Bonds1

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

3-amino-1-[(1S,2R)-2-hydroxycyclopentyl]pyridin-2-one (PubChem CID 137457484) has the molecular formula C10H14N2O2 and a molecular weight of 194.23 g/mol. Its IUPAC name is 3-amino-1-[(1S,2R)-2-hydroxycyclopentyl]pyridin-2-one.

Molecular Properties

Compound Name3-amino-1-[(1S,2R)-2-hydroxycyclopentyl]pyridin-2-one
PubChem CID137457484
Molecular FormulaC10H14N2O2
Molecular Weight194.23 g/mol
Exact Mass194.11
IUPAC Name3-amino-1-[(1S,2R)-2-hydroxycyclopentyl]pyridin-2-one
SMILESNc1cccn([C@H]2CCC[C@H]2O)c1=O
InChIInChI=1S/C10H14N2O2/c11-7-3-2-6-12(10(7)14)8-4-1-5-9(8)13/h2-3,6,8-9,13H,1,4-5,11H2/t8-,9+/m0/s1
InChIKeyPHTBHHJIDZYIHB-DTWKUNHWSA-N
XLogP0.52
TPSA68.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.23
LogP ≤ 50.52
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,2R)-2-hydroxycyclopentyl]pyridin-2-one?
The IUPAC name of 3-amino-1-[(1S,2R)-2-hydroxycyclopentyl]pyridin-2-one (CID 137457484) is 3-amino-1-[(1S,2R)-2-hydroxycyclopentyl]pyridin-2-one.
What is the SMILES notation for 3-amino-1-[(1S,2R)-2-hydroxycyclopentyl]pyridin-2-one?
The canonical SMILES for 3-amino-1-[(1S,2R)-2-hydroxycyclopentyl]pyridin-2-one is Nc1cccn([C@H]2CCC[C@H]2O)c1=O.
What is the InChIKey of 3-amino-1-[(1S,2R)-2-hydroxycyclopentyl]pyridin-2-one?
The InChIKey is PHTBHHJIDZYIHB-DTWKUNHWSA-N. The full InChI is InChI=1S/C10H14N2O2/c11-7-3-2-6-12(10(7)14)8-4-1-5-9(8)13/h2-3,6,8-9,13H,1,4-5,11H2/t8-,9+/m0/s1.
What are the key properties of 3-amino-1-[(1S,2R)-2-hydroxycyclopentyl]pyridin-2-one?
3-amino-1-[(1S,2R)-2-hydroxycyclopentyl]pyridin-2-one has a molecular weight of 194.23 g/mol, XLogP of 0.52, 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,2R)-2-hydroxycyclopentyl]pyridin-2-one is sourced from PubChem (CID 137457484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).