(2-oxo-1H-pyridin-4-yl) propanoate

C8H9NO3 — CID 14049664

IUPAC(2-oxo-1H-pyridin-4-yl) propanoate
SMILESCCC(=O)Oc1cc[nH]c(=O)c1
InChIInChI=1S/C8H9NO3/c1-2-8(11)12-6-3-4-9-7(10)5-6/h3-5H,2H2,1H3,(H,9,10)
InChIKeyGRWPOYLXCXNXDM-UHFFFAOYSA-N
MW167.16 g/mol
LogP0.69
Rot. Bonds2

About (2-oxo-1H-pyridin-4-yl) propanoate

(2-oxo-1H-pyridin-4-yl) propanoate (PubChem CID 14049664) has the molecular formula C8H9NO3 and a molecular weight of 167.16 g/mol. Its IUPAC name is (2-oxo-1H-pyridin-4-yl) propanoate.

Molecular Properties

Compound Name(2-oxo-1H-pyridin-4-yl) propanoate
PubChem CID14049664
Molecular FormulaC8H9NO3
Molecular Weight167.16 g/mol
Exact Mass167.06
IUPAC Name(2-oxo-1H-pyridin-4-yl) propanoate
SMILESCCC(=O)Oc1cc[nH]c(=O)c1
InChIInChI=1S/C8H9NO3/c1-2-8(11)12-6-3-4-9-7(10)5-6/h3-5H,2H2,1H3,(H,9,10)
InChIKeyGRWPOYLXCXNXDM-UHFFFAOYSA-N
XLogP0.69
TPSA59.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.16
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-Methoxypyridin-2(1H)-one
CID 817715
5-(Acetyloxy)-2(1H)-pyridinone
CID 323281
(2-oxo-1H-pyridin-3-yl) (E)-but-2-enoate
CID 6040936
4-ethoxy-1H-pyridin-2-one
CID 817729
4-Acetoxy-2-pyridone
CID 13163112
4-Butanoyloxy-5-chloro-2-pyridone
CID 14049644
2-Oxo-1,2-dihydropyridin-4-yl pentanoate
CID 14049673
(3-amino-2-oxo-1H-pyridin-4-yl) butanoate
CID 53952841
4-butoxy-1H-pyridin-2-one
CID 58896757
4-pentyloxy-1H-pyridin-2-one
CID 58896775
4-(3-methoxypropoxy)-1H-pyridin-2-one
CID 59527178
4-(2-methylpropoxy)-1H-pyridin-2-one
CID 59665143

Frequently Asked Questions

What is the IUPAC name of (2-oxo-1H-pyridin-4-yl) propanoate?
The IUPAC name of (2-oxo-1H-pyridin-4-yl) propanoate (CID 14049664) is (2-oxo-1H-pyridin-4-yl) propanoate.
What is the SMILES notation for (2-oxo-1H-pyridin-4-yl) propanoate?
The canonical SMILES for (2-oxo-1H-pyridin-4-yl) propanoate is CCC(=O)Oc1cc[nH]c(=O)c1.
What is the InChIKey of (2-oxo-1H-pyridin-4-yl) propanoate?
The InChIKey is GRWPOYLXCXNXDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NO3/c1-2-8(11)12-6-3-4-9-7(10)5-6/h3-5H,2H2,1H3,(H,9,10).
What are the key properties of (2-oxo-1H-pyridin-4-yl) propanoate?
(2-oxo-1H-pyridin-4-yl) propanoate has a molecular weight of 167.16 g/mol, XLogP of 0.69, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-oxo-1H-pyridin-4-yl) propanoate is sourced from PubChem (CID 14049664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).