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

C10H13NO3 — CID 14049673

IUPAC(2-oxo-1H-pyridin-4-yl) pentanoate
SMILESCCCCC(=O)Oc1cc[nH]c(=O)c1
InChIInChI=1S/C10H13NO3/c1-2-3-4-10(13)14-8-5-6-11-9(12)7-8/h5-7H,2-4H2,1H3,(H,11,12)
InChIKeyTUDXNWIUMDHRCR-UHFFFAOYSA-N
MW195.22 g/mol
LogP1.47
Rot. Bonds4

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

(2-oxo-1H-pyridin-4-yl) pentanoate (PubChem CID 14049673) has the molecular formula C10H13NO3 and a molecular weight of 195.22 g/mol. Its IUPAC name is (2-oxo-1H-pyridin-4-yl) pentanoate.

Molecular Properties

Compound Name(2-oxo-1H-pyridin-4-yl) pentanoate
PubChem CID14049673
Molecular FormulaC10H13NO3
Molecular Weight195.22 g/mol
Exact Mass195.09
IUPAC Name(2-oxo-1H-pyridin-4-yl) pentanoate
SMILESCCCCC(=O)Oc1cc[nH]c(=O)c1
InChIInChI=1S/C10H13NO3/c1-2-3-4-10(13)14-8-5-6-11-9(12)7-8/h5-7H,2-4H2,1H3,(H,11,12)
InChIKeyTUDXNWIUMDHRCR-UHFFFAOYSA-N
XLogP1.47
TPSA59.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.22
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2-oxo-1H-pyridin-4-yl) pentanoate?
The IUPAC name of (2-oxo-1H-pyridin-4-yl) pentanoate (CID 14049673) is (2-oxo-1H-pyridin-4-yl) pentanoate.
What is the SMILES notation for (2-oxo-1H-pyridin-4-yl) pentanoate?
The canonical SMILES for (2-oxo-1H-pyridin-4-yl) pentanoate is CCCCC(=O)Oc1cc[nH]c(=O)c1.
What is the InChIKey of (2-oxo-1H-pyridin-4-yl) pentanoate?
The InChIKey is TUDXNWIUMDHRCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO3/c1-2-3-4-10(13)14-8-5-6-11-9(12)7-8/h5-7H,2-4H2,1H3,(H,11,12).
What are the key properties of (2-oxo-1H-pyridin-4-yl) pentanoate?
(2-oxo-1H-pyridin-4-yl) pentanoate has a molecular weight of 195.22 g/mol, XLogP of 1.47, 4 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) pentanoate is sourced from PubChem (CID 14049673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).