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

C11H16N2O2 — CID 137449088

IUPAC1-[(1R,2S)-2-hydroxycyclopentyl]-3-(methylamino)pyridin-2-one
SMILESCNc1cccn([C@@H]2CCC[C@@H]2O)c1=O
InChIInChI=1S/C11H16N2O2/c1-12-8-4-3-7-13(11(8)15)9-5-2-6-10(9)14/h3-4,7,9-10,12,14H,2,5-6H2,1H3/t9-,10+/m1/s1
InChIKeyYQGHZUGAMDLZPQ-ZJUUUORDSA-N
MW208.26 g/mol
LogP0.98
Rot. Bonds2

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

1-[(1R,2S)-2-hydroxycyclopentyl]-3-(methylamino)pyridin-2-one (PubChem CID 137449088) has the molecular formula C11H16N2O2 and a molecular weight of 208.26 g/mol. Its IUPAC name is 1-[(1R,2S)-2-hydroxycyclopentyl]-3-(methylamino)pyridin-2-one.

Molecular Properties

Compound Name1-[(1R,2S)-2-hydroxycyclopentyl]-3-(methylamino)pyridin-2-one
PubChem CID137449088
Molecular FormulaC11H16N2O2
Molecular Weight208.26 g/mol
Exact Mass208.12
IUPAC Name1-[(1R,2S)-2-hydroxycyclopentyl]-3-(methylamino)pyridin-2-one
SMILESCNc1cccn([C@@H]2CCC[C@@H]2O)c1=O
InChIInChI=1S/C11H16N2O2/c1-12-8-4-3-7-13(11(8)15)9-5-2-6-10(9)14/h3-4,7,9-10,12,14H,2,5-6H2,1H3/t9-,10+/m1/s1
InChIKeyYQGHZUGAMDLZPQ-ZJUUUORDSA-N
XLogP0.98
TPSA54.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(1R,2S)-2-hydroxycyclopentyl]-3-(methylamino)pyridin-2-one?
The IUPAC name of 1-[(1R,2S)-2-hydroxycyclopentyl]-3-(methylamino)pyridin-2-one (CID 137449088) is 1-[(1R,2S)-2-hydroxycyclopentyl]-3-(methylamino)pyridin-2-one.
What is the SMILES notation for 1-[(1R,2S)-2-hydroxycyclopentyl]-3-(methylamino)pyridin-2-one?
The canonical SMILES for 1-[(1R,2S)-2-hydroxycyclopentyl]-3-(methylamino)pyridin-2-one is CNc1cccn([C@@H]2CCC[C@@H]2O)c1=O.
What is the InChIKey of 1-[(1R,2S)-2-hydroxycyclopentyl]-3-(methylamino)pyridin-2-one?
The InChIKey is YQGHZUGAMDLZPQ-ZJUUUORDSA-N. The full InChI is InChI=1S/C11H16N2O2/c1-12-8-4-3-7-13(11(8)15)9-5-2-6-10(9)14/h3-4,7,9-10,12,14H,2,5-6H2,1H3/t9-,10+/m1/s1.
What are the key properties of 1-[(1R,2S)-2-hydroxycyclopentyl]-3-(methylamino)pyridin-2-one?
1-[(1R,2S)-2-hydroxycyclopentyl]-3-(methylamino)pyridin-2-one has a molecular weight of 208.26 g/mol, XLogP of 0.98, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R,2S)-2-hydroxycyclopentyl]-3-(methylamino)pyridin-2-one is sourced from PubChem (CID 137449088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).