6-(2-oxopropyl)-1H-pyridin-2-one

C8H9NO2 — CID 70272402

IUPAC6-(2-oxopropyl)-1H-pyridin-2-one
SMILESCC(=O)Cc1cccc(=O)[nH]1
InChIInChI=1S/C8H9NO2/c1-6(10)5-7-3-2-4-8(11)9-7/h2-4H,5H2,1H3,(H,9,11)
InChIKeyHGPDQLTVAVKZAT-UHFFFAOYSA-N
MW151.16 g/mol
LogP0.51
Rot. Bonds2

About 6-(2-oxopropyl)-1H-pyridin-2-one

6-(2-oxopropyl)-1H-pyridin-2-one (PubChem CID 70272402) has the molecular formula C8H9NO2 and a molecular weight of 151.16 g/mol. Its IUPAC name is 6-(2-oxopropyl)-1H-pyridin-2-one.

Molecular Properties

Compound Name6-(2-oxopropyl)-1H-pyridin-2-one
PubChem CID70272402
Molecular FormulaC8H9NO2
Molecular Weight151.16 g/mol
Exact Mass151.06
IUPAC Name6-(2-oxopropyl)-1H-pyridin-2-one
SMILESCC(=O)Cc1cccc(=O)[nH]1
InChIInChI=1S/C8H9NO2/c1-6(10)5-7-3-2-4-8(11)9-7/h2-4H,5H2,1H3,(H,9,11)
InChIKeyHGPDQLTVAVKZAT-UHFFFAOYSA-N
XLogP0.51
TPSA49.93 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.16
LogP ≤ 50.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-(2-oxopropyl)-1H-pyridin-2-one?
The IUPAC name of 6-(2-oxopropyl)-1H-pyridin-2-one (CID 70272402) is 6-(2-oxopropyl)-1H-pyridin-2-one.
What is the SMILES notation for 6-(2-oxopropyl)-1H-pyridin-2-one?
The canonical SMILES for 6-(2-oxopropyl)-1H-pyridin-2-one is CC(=O)Cc1cccc(=O)[nH]1.
What is the InChIKey of 6-(2-oxopropyl)-1H-pyridin-2-one?
The InChIKey is HGPDQLTVAVKZAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NO2/c1-6(10)5-7-3-2-4-8(11)9-7/h2-4H,5H2,1H3,(H,9,11).
What are the key properties of 6-(2-oxopropyl)-1H-pyridin-2-one?
6-(2-oxopropyl)-1H-pyridin-2-one has a molecular weight of 151.16 g/mol, XLogP of 0.51, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-oxopropyl)-1H-pyridin-2-one is sourced from PubChem (CID 70272402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).