5-propan-2-yloxy-1H-pyridin-2-one

C8H11NO2 — CID 68761178

IUPAC5-propan-2-yloxy-1H-pyridin-2-one
SMILESCC(C)Oc1ccc(=O)[nH]c1
InChIInChI=1S/C8H11NO2/c1-6(2)11-7-3-4-8(10)9-5-7/h3-6H,1-2H3,(H,9,10)
InChIKeyXRJNTBBKLCNOOK-UHFFFAOYSA-N
MW153.18 g/mol
LogP1.16
Rot. Bonds2

About 5-propan-2-yloxy-1H-pyridin-2-one

5-propan-2-yloxy-1H-pyridin-2-one (PubChem CID 68761178) has the molecular formula C8H11NO2 and a molecular weight of 153.18 g/mol. Its IUPAC name is 5-propan-2-yloxy-1H-pyridin-2-one.

Molecular Properties

Compound Name5-propan-2-yloxy-1H-pyridin-2-one
PubChem CID68761178
Molecular FormulaC8H11NO2
Molecular Weight153.18 g/mol
Exact Mass153.08
IUPAC Name5-propan-2-yloxy-1H-pyridin-2-one
SMILESCC(C)Oc1ccc(=O)[nH]c1
InChIInChI=1S/C8H11NO2/c1-6(2)11-7-3-4-8(10)9-5-7/h3-6H,1-2H3,(H,9,10)
InChIKeyXRJNTBBKLCNOOK-UHFFFAOYSA-N
XLogP1.16
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.18
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 5-propan-2-yloxy-1H-pyridin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-propan-2-yloxy-1H-pyridin-2-one?
The IUPAC name of 5-propan-2-yloxy-1H-pyridin-2-one (CID 68761178) is 5-propan-2-yloxy-1H-pyridin-2-one.
What is the SMILES notation for 5-propan-2-yloxy-1H-pyridin-2-one?
The canonical SMILES for 5-propan-2-yloxy-1H-pyridin-2-one is CC(C)Oc1ccc(=O)[nH]c1.
What is the InChIKey of 5-propan-2-yloxy-1H-pyridin-2-one?
The InChIKey is XRJNTBBKLCNOOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO2/c1-6(2)11-7-3-4-8(10)9-5-7/h3-6H,1-2H3,(H,9,10).
What are the key properties of 5-propan-2-yloxy-1H-pyridin-2-one?
5-propan-2-yloxy-1H-pyridin-2-one has a molecular weight of 153.18 g/mol, XLogP of 1.16, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-propan-2-yloxy-1H-pyridin-2-one is sourced from PubChem (CID 68761178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).