4-(2-hydroxypropan-2-yl)-1H-pyridin-2-one

C8H11NO2 — CID 131034097

IUPAC4-(2-hydroxypropan-2-yl)-1H-pyridin-2-one
SMILESCC(C)(O)c1cc[nH]c(=O)c1
InChIInChI=1S/C8H11NO2/c1-8(2,11)6-3-4-9-7(10)5-6/h3-5,11H,1-2H3,(H,9,10)
InChIKeyBXDBDTSGLVIWNH-UHFFFAOYSA-N
MW153.18 g/mol
LogP0.60
Rot. Bonds1

About 4-(2-hydroxypropan-2-yl)-1H-pyridin-2-one

4-(2-hydroxypropan-2-yl)-1H-pyridin-2-one (PubChem CID 131034097) has the molecular formula C8H11NO2 and a molecular weight of 153.18 g/mol. Its IUPAC name is 4-(2-hydroxypropan-2-yl)-1H-pyridin-2-one.

Molecular Properties

Compound Name4-(2-hydroxypropan-2-yl)-1H-pyridin-2-one
PubChem CID131034097
Molecular FormulaC8H11NO2
Molecular Weight153.18 g/mol
Exact Mass153.08
IUPAC Name4-(2-hydroxypropan-2-yl)-1H-pyridin-2-one
SMILESCC(C)(O)c1cc[nH]c(=O)c1
InChIInChI=1S/C8H11NO2/c1-8(2,11)6-3-4-9-7(10)5-6/h3-5,11H,1-2H3,(H,9,10)
InChIKeyBXDBDTSGLVIWNH-UHFFFAOYSA-N
XLogP0.60
TPSA53.09 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.18
LogP ≤ 50.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(2-hydroxypropan-2-yl)-1H-pyridin-2-one?
The IUPAC name of 4-(2-hydroxypropan-2-yl)-1H-pyridin-2-one (CID 131034097) is 4-(2-hydroxypropan-2-yl)-1H-pyridin-2-one.
What is the SMILES notation for 4-(2-hydroxypropan-2-yl)-1H-pyridin-2-one?
The canonical SMILES for 4-(2-hydroxypropan-2-yl)-1H-pyridin-2-one is CC(C)(O)c1cc[nH]c(=O)c1.
What is the InChIKey of 4-(2-hydroxypropan-2-yl)-1H-pyridin-2-one?
The InChIKey is BXDBDTSGLVIWNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO2/c1-8(2,11)6-3-4-9-7(10)5-6/h3-5,11H,1-2H3,(H,9,10).
What are the key properties of 4-(2-hydroxypropan-2-yl)-1H-pyridin-2-one?
4-(2-hydroxypropan-2-yl)-1H-pyridin-2-one has a molecular weight of 153.18 g/mol, XLogP of 0.60, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-hydroxypropan-2-yl)-1H-pyridin-2-one is sourced from PubChem (CID 131034097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).