3-amino-1-[2-(3-hydroxypyrrolidin-1-yl)ethyl]pyridin-2-one

C11H17N3O2 — CID 138585551

IUPAC3-amino-1-[2-(3-hydroxypyrrolidin-1-yl)ethyl]pyridin-2-one
SMILESNc1cccn(CCN2CCC(O)C2)c1=O
InChIInChI=1S/C11H17N3O2/c12-10-2-1-4-14(11(10)16)7-6-13-5-3-9(15)8-13/h1-2,4,9,15H,3,5-8,12H2
InChIKeyXEHALXGBJYGCAK-UHFFFAOYSA-N
MW223.28 g/mol
LogP-0.50
Rot. Bonds3

About 3-amino-1-[2-(3-hydroxypyrrolidin-1-yl)ethyl]pyridin-2-one

3-amino-1-[2-(3-hydroxypyrrolidin-1-yl)ethyl]pyridin-2-one (PubChem CID 138585551) has the molecular formula C11H17N3O2 and a molecular weight of 223.28 g/mol. Its IUPAC name is 3-amino-1-[2-(3-hydroxypyrrolidin-1-yl)ethyl]pyridin-2-one.

Molecular Properties

Compound Name3-amino-1-[2-(3-hydroxypyrrolidin-1-yl)ethyl]pyridin-2-one
PubChem CID138585551
Molecular FormulaC11H17N3O2
Molecular Weight223.28 g/mol
Exact Mass223.13
IUPAC Name3-amino-1-[2-(3-hydroxypyrrolidin-1-yl)ethyl]pyridin-2-one
SMILESNc1cccn(CCN2CCC(O)C2)c1=O
InChIInChI=1S/C11H17N3O2/c12-10-2-1-4-14(11(10)16)7-6-13-5-3-9(15)8-13/h1-2,4,9,15H,3,5-8,12H2
InChIKeyXEHALXGBJYGCAK-UHFFFAOYSA-N
XLogP-0.50
TPSA71.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 5-0.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-amino-1-[2-(3-hydroxypyrrolidin-1-yl)ethyl]pyridin-2-one?
The IUPAC name of 3-amino-1-[2-(3-hydroxypyrrolidin-1-yl)ethyl]pyridin-2-one (CID 138585551) is 3-amino-1-[2-(3-hydroxypyrrolidin-1-yl)ethyl]pyridin-2-one.
What is the SMILES notation for 3-amino-1-[2-(3-hydroxypyrrolidin-1-yl)ethyl]pyridin-2-one?
The canonical SMILES for 3-amino-1-[2-(3-hydroxypyrrolidin-1-yl)ethyl]pyridin-2-one is Nc1cccn(CCN2CCC(O)C2)c1=O.
What is the InChIKey of 3-amino-1-[2-(3-hydroxypyrrolidin-1-yl)ethyl]pyridin-2-one?
The InChIKey is XEHALXGBJYGCAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2/c12-10-2-1-4-14(11(10)16)7-6-13-5-3-9(15)8-13/h1-2,4,9,15H,3,5-8,12H2.
What are the key properties of 3-amino-1-[2-(3-hydroxypyrrolidin-1-yl)ethyl]pyridin-2-one?
3-amino-1-[2-(3-hydroxypyrrolidin-1-yl)ethyl]pyridin-2-one has a molecular weight of 223.28 g/mol, XLogP of -0.50, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-[2-(3-hydroxypyrrolidin-1-yl)ethyl]pyridin-2-one is sourced from PubChem (CID 138585551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).