5-amino-1-[2-[2-(hydroxymethyl)pyrrolidin-1-yl]ethyl]pyridin-2-one

C12H19N3O2 — CID 61407378

IUPAC5-amino-1-[2-[2-(hydroxymethyl)pyrrolidin-1-yl]ethyl]pyridin-2-one
SMILESNc1ccc(=O)n(CCN2CCCC2CO)c1
InChIInChI=1S/C12H19N3O2/c13-10-3-4-12(17)15(8-10)7-6-14-5-1-2-11(14)9-16/h3-4,8,11,16H,1-2,5-7,9,13H2
InChIKeyMYRPDXZIEVVJIY-UHFFFAOYSA-N
MW237.30 g/mol
LogP-0.11
Rot. Bonds4

About 5-amino-1-[2-[2-(hydroxymethyl)pyrrolidin-1-yl]ethyl]pyridin-2-one

5-amino-1-[2-[2-(hydroxymethyl)pyrrolidin-1-yl]ethyl]pyridin-2-one (PubChem CID 61407378) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is 5-amino-1-[2-[2-(hydroxymethyl)pyrrolidin-1-yl]ethyl]pyridin-2-one.

Molecular Properties

Compound Name5-amino-1-[2-[2-(hydroxymethyl)pyrrolidin-1-yl]ethyl]pyridin-2-one
PubChem CID61407378
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC Name5-amino-1-[2-[2-(hydroxymethyl)pyrrolidin-1-yl]ethyl]pyridin-2-one
SMILESNc1ccc(=O)n(CCN2CCCC2CO)c1
InChIInChI=1S/C12H19N3O2/c13-10-3-4-12(17)15(8-10)7-6-14-5-1-2-11(14)9-16/h3-4,8,11,16H,1-2,5-7,9,13H2
InChIKeyMYRPDXZIEVVJIY-UHFFFAOYSA-N
XLogP-0.11
TPSA71.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 5-0.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-amino-1-[2-[2-(hydroxymethyl)pyrrolidin-1-yl]ethyl]pyridin-2-one?
The IUPAC name of 5-amino-1-[2-[2-(hydroxymethyl)pyrrolidin-1-yl]ethyl]pyridin-2-one (CID 61407378) is 5-amino-1-[2-[2-(hydroxymethyl)pyrrolidin-1-yl]ethyl]pyridin-2-one.
What is the SMILES notation for 5-amino-1-[2-[2-(hydroxymethyl)pyrrolidin-1-yl]ethyl]pyridin-2-one?
The canonical SMILES for 5-amino-1-[2-[2-(hydroxymethyl)pyrrolidin-1-yl]ethyl]pyridin-2-one is Nc1ccc(=O)n(CCN2CCCC2CO)c1.
What is the InChIKey of 5-amino-1-[2-[2-(hydroxymethyl)pyrrolidin-1-yl]ethyl]pyridin-2-one?
The InChIKey is MYRPDXZIEVVJIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2/c13-10-3-4-12(17)15(8-10)7-6-14-5-1-2-11(14)9-16/h3-4,8,11,16H,1-2,5-7,9,13H2.
What are the key properties of 5-amino-1-[2-[2-(hydroxymethyl)pyrrolidin-1-yl]ethyl]pyridin-2-one?
5-amino-1-[2-[2-(hydroxymethyl)pyrrolidin-1-yl]ethyl]pyridin-2-one has a molecular weight of 237.30 g/mol, XLogP of -0.11, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-[2-[2-(hydroxymethyl)pyrrolidin-1-yl]ethyl]pyridin-2-one is sourced from PubChem (CID 61407378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).