3-aminooxy-1-methyl-5-pyridin-3-ylpyrrolidin-2-one

C10H13N3O2 — CID 118629469

IUPAC3-aminooxy-1-methyl-5-pyridin-3-ylpyrrolidin-2-one
SMILESCN1C(=O)C(ON)CC1c1cccnc1
InChIInChI=1S/C10H13N3O2/c1-13-8(5-9(15-11)10(13)14)7-3-2-4-12-6-7/h2-4,6,8-9H,5,11H2,1H3
InChIKeyWDQFJJRYJSQQND-UHFFFAOYSA-N
MW207.23 g/mol
LogP0.24
Rot. Bonds2

About 3-aminooxy-1-methyl-5-pyridin-3-ylpyrrolidin-2-one

3-aminooxy-1-methyl-5-pyridin-3-ylpyrrolidin-2-one (PubChem CID 118629469) has the molecular formula C10H13N3O2 and a molecular weight of 207.23 g/mol. Its IUPAC name is 3-aminooxy-1-methyl-5-pyridin-3-ylpyrrolidin-2-one.

Molecular Properties

Compound Name3-aminooxy-1-methyl-5-pyridin-3-ylpyrrolidin-2-one
PubChem CID118629469
Molecular FormulaC10H13N3O2
Molecular Weight207.23 g/mol
Exact Mass207.10
IUPAC Name3-aminooxy-1-methyl-5-pyridin-3-ylpyrrolidin-2-one
SMILESCN1C(=O)C(ON)CC1c1cccnc1
InChIInChI=1S/C10H13N3O2/c1-13-8(5-9(15-11)10(13)14)7-3-2-4-12-6-7/h2-4,6,8-9H,5,11H2,1H3
InChIKeyWDQFJJRYJSQQND-UHFFFAOYSA-N
XLogP0.24
TPSA68.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.23
LogP ≤ 50.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(3R,5S)-1-methyl-5-pyridin-3-yl-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypyrrolidin-2-one
CID 160815917
1-methyl-2,6-dipyridin-3-ylpiperidin-4-one
CID 67052519
sodium (3S,4R,6R)-3,4,5-trihydroxy-6-[(3S)-2-oxo-5-pyridin-3-yl-1-(trideuteriomethyl)pyrrolidin-3-yl]oxyoxane-2-carboxylate
CID 172641992
hydron;bis(3-(1-methylpyrrolidin-2-yl)pyridine)
CID 158783488
3-amino-1-methyl-5-pyridin-4-ylpyrrolidin-2-one
CID 121209528
3-(1-methyl(115N)azolidin-2-yl)pyridine
CID 11126596
carbamic acid;3-[(2S)-1-methylpyrrolidin-2-yl]pyridine
CID 174664088
formamide;3-[(2S)-1-methylpyrrolidin-2-yl]pyridine
CID 175000566
ethane;3-(1-methylpyrrolidin-2-yl)pyridine
CID 144528341
3-(2-methyl-3,4-dihydropyrazol-3-yl)pyridine
CID 89058885
CID 159245541
CID 159245541
3-(1-methylpyrrolidin-2-yl)pyridine;zinc
CID 67468212

Frequently Asked Questions

What is the IUPAC name of 3-aminooxy-1-methyl-5-pyridin-3-ylpyrrolidin-2-one?
The IUPAC name of 3-aminooxy-1-methyl-5-pyridin-3-ylpyrrolidin-2-one (CID 118629469) is 3-aminooxy-1-methyl-5-pyridin-3-ylpyrrolidin-2-one.
What is the SMILES notation for 3-aminooxy-1-methyl-5-pyridin-3-ylpyrrolidin-2-one?
The canonical SMILES for 3-aminooxy-1-methyl-5-pyridin-3-ylpyrrolidin-2-one is CN1C(=O)C(ON)CC1c1cccnc1.
What is the InChIKey of 3-aminooxy-1-methyl-5-pyridin-3-ylpyrrolidin-2-one?
The InChIKey is WDQFJJRYJSQQND-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O2/c1-13-8(5-9(15-11)10(13)14)7-3-2-4-12-6-7/h2-4,6,8-9H,5,11H2,1H3.
What are the key properties of 3-aminooxy-1-methyl-5-pyridin-3-ylpyrrolidin-2-one?
3-aminooxy-1-methyl-5-pyridin-3-ylpyrrolidin-2-one has a molecular weight of 207.23 g/mol, XLogP of 0.24, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-aminooxy-1-methyl-5-pyridin-3-ylpyrrolidin-2-one is sourced from PubChem (CID 118629469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).