3-amino-1-(oxolan-3-yl)pyridin-2-one

C9H12N2O2 — CID 118155372

IUPAC3-amino-1-(oxolan-3-yl)pyridin-2-one
SMILESNc1cccn(C2CCOC2)c1=O
InChIInChI=1S/C9H12N2O2/c10-8-2-1-4-11(9(8)12)7-3-5-13-6-7/h1-2,4,7H,3,5-6,10H2
InChIKeyLMILVNMURIBQMU-UHFFFAOYSA-N
MW180.21 g/mol
LogP0.39
Rot. Bonds1

About 3-amino-1-(oxolan-3-yl)pyridin-2-one

3-amino-1-(oxolan-3-yl)pyridin-2-one (PubChem CID 118155372) has the molecular formula C9H12N2O2 and a molecular weight of 180.21 g/mol. Its IUPAC name is 3-amino-1-(oxolan-3-yl)pyridin-2-one.

Molecular Properties

Compound Name3-amino-1-(oxolan-3-yl)pyridin-2-one
PubChem CID118155372
Molecular FormulaC9H12N2O2
Molecular Weight180.21 g/mol
Exact Mass180.09
IUPAC Name3-amino-1-(oxolan-3-yl)pyridin-2-one
SMILESNc1cccn(C2CCOC2)c1=O
InChIInChI=1S/C9H12N2O2/c10-8-2-1-4-11(9(8)12)7-3-5-13-6-7/h1-2,4,7H,3,5-6,10H2
InChIKeyLMILVNMURIBQMU-UHFFFAOYSA-N
XLogP0.39
TPSA57.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.21
LogP ≤ 50.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(oxolan-3-yl)pyridin-2-one?
The IUPAC name of 3-amino-1-(oxolan-3-yl)pyridin-2-one (CID 118155372) is 3-amino-1-(oxolan-3-yl)pyridin-2-one.
What is the SMILES notation for 3-amino-1-(oxolan-3-yl)pyridin-2-one?
The canonical SMILES for 3-amino-1-(oxolan-3-yl)pyridin-2-one is Nc1cccn(C2CCOC2)c1=O.
What is the InChIKey of 3-amino-1-(oxolan-3-yl)pyridin-2-one?
The InChIKey is LMILVNMURIBQMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O2/c10-8-2-1-4-11(9(8)12)7-3-5-13-6-7/h1-2,4,7H,3,5-6,10H2.
What are the key properties of 3-amino-1-(oxolan-3-yl)pyridin-2-one?
3-amino-1-(oxolan-3-yl)pyridin-2-one has a molecular weight of 180.21 g/mol, XLogP of 0.39, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(oxolan-3-yl)pyridin-2-one is sourced from PubChem (CID 118155372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).