5-(2-oxopropoxymethyl)-1H-pyridin-2-one

C9H11NO3 — CID 129259354

IUPAC5-(2-oxopropoxymethyl)-1H-pyridin-2-one
SMILESCC(=O)COCc1ccc(=O)[nH]c1
InChIInChI=1S/C9H11NO3/c1-7(11)5-13-6-8-2-3-9(12)10-4-8/h2-4H,5-6H2,1H3,(H,10,12)
InChIKeyDEIMMTFQWJFMEH-UHFFFAOYSA-N
MW181.19 g/mol
LogP0.48
Rot. Bonds4

About 5-(2-oxopropoxymethyl)-1H-pyridin-2-one

5-(2-oxopropoxymethyl)-1H-pyridin-2-one (PubChem CID 129259354) has the molecular formula C9H11NO3 and a molecular weight of 181.19 g/mol. Its IUPAC name is 5-(2-oxopropoxymethyl)-1H-pyridin-2-one.

Molecular Properties

Compound Name5-(2-oxopropoxymethyl)-1H-pyridin-2-one
PubChem CID129259354
Molecular FormulaC9H11NO3
Molecular Weight181.19 g/mol
Exact Mass181.07
IUPAC Name5-(2-oxopropoxymethyl)-1H-pyridin-2-one
SMILESCC(=O)COCc1ccc(=O)[nH]c1
InChIInChI=1S/C9H11NO3/c1-7(11)5-13-6-8-2-3-9(12)10-4-8/h2-4H,5-6H2,1H3,(H,10,12)
InChIKeyDEIMMTFQWJFMEH-UHFFFAOYSA-N
XLogP0.48
TPSA59.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.19
LogP ≤ 50.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(2-oxopropoxymethyl)-1H-pyridin-2-one?
The IUPAC name of 5-(2-oxopropoxymethyl)-1H-pyridin-2-one (CID 129259354) is 5-(2-oxopropoxymethyl)-1H-pyridin-2-one.
What is the SMILES notation for 5-(2-oxopropoxymethyl)-1H-pyridin-2-one?
The canonical SMILES for 5-(2-oxopropoxymethyl)-1H-pyridin-2-one is CC(=O)COCc1ccc(=O)[nH]c1.
What is the InChIKey of 5-(2-oxopropoxymethyl)-1H-pyridin-2-one?
The InChIKey is DEIMMTFQWJFMEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO3/c1-7(11)5-13-6-8-2-3-9(12)10-4-8/h2-4H,5-6H2,1H3,(H,10,12).
What are the key properties of 5-(2-oxopropoxymethyl)-1H-pyridin-2-one?
5-(2-oxopropoxymethyl)-1H-pyridin-2-one has a molecular weight of 181.19 g/mol, XLogP of 0.48, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-oxopropoxymethyl)-1H-pyridin-2-one is sourced from PubChem (CID 129259354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).