5-(3-aminooxolan-2-yl)-1H-pyridin-2-one

C9H12N2O2 — CID 122235365

IUPAC5-(3-aminooxolan-2-yl)-1H-pyridin-2-one
SMILESNC1CCOC1c1ccc(=O)[nH]c1
InChIInChI=1S/C9H12N2O2/c10-7-3-4-13-9(7)6-1-2-8(12)11-5-6/h1-2,5,7,9H,3-4,10H2,(H,11,12)
InChIKeyZWSHRLIYBBOYMC-UHFFFAOYSA-N
MW180.21 g/mol
LogP0.16
Rot. Bonds1

About 5-(3-aminooxolan-2-yl)-1H-pyridin-2-one

5-(3-aminooxolan-2-yl)-1H-pyridin-2-one (PubChem CID 122235365) has the molecular formula C9H12N2O2 and a molecular weight of 180.21 g/mol. Its IUPAC name is 5-(3-aminooxolan-2-yl)-1H-pyridin-2-one.

Molecular Properties

Compound Name5-(3-aminooxolan-2-yl)-1H-pyridin-2-one
PubChem CID122235365
Molecular FormulaC9H12N2O2
Molecular Weight180.21 g/mol
Exact Mass180.09
IUPAC Name5-(3-aminooxolan-2-yl)-1H-pyridin-2-one
SMILESNC1CCOC1c1ccc(=O)[nH]c1
InChIInChI=1S/C9H12N2O2/c10-7-3-4-13-9(7)6-1-2-8(12)11-5-6/h1-2,5,7,9H,3-4,10H2,(H,11,12)
InChIKeyZWSHRLIYBBOYMC-UHFFFAOYSA-N
XLogP0.16
TPSA68.11 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.21
LogP ≤ 50.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(3-aminooxolan-2-yl)-1H-pyridin-2-one?
The IUPAC name of 5-(3-aminooxolan-2-yl)-1H-pyridin-2-one (CID 122235365) is 5-(3-aminooxolan-2-yl)-1H-pyridin-2-one.
What is the SMILES notation for 5-(3-aminooxolan-2-yl)-1H-pyridin-2-one?
The canonical SMILES for 5-(3-aminooxolan-2-yl)-1H-pyridin-2-one is NC1CCOC1c1ccc(=O)[nH]c1.
What is the InChIKey of 5-(3-aminooxolan-2-yl)-1H-pyridin-2-one?
The InChIKey is ZWSHRLIYBBOYMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O2/c10-7-3-4-13-9(7)6-1-2-8(12)11-5-6/h1-2,5,7,9H,3-4,10H2,(H,11,12).
What are the key properties of 5-(3-aminooxolan-2-yl)-1H-pyridin-2-one?
5-(3-aminooxolan-2-yl)-1H-pyridin-2-one has a molecular weight of 180.21 g/mol, XLogP of 0.16, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-aminooxolan-2-yl)-1H-pyridin-2-one is sourced from PubChem (CID 122235365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).