(2-oxo-1-pyridinyl)methyl propanoate

C9H11NO3 — CID 10329950

IUPAC(2-oxo-1-pyridinyl)methyl propanoate
SMILESCCC(=O)OCn1ccccc1=O
InChIInChI=1S/C9H11NO3/c1-2-9(12)13-7-10-6-4-3-5-8(10)11/h3-6H,2,7H2,1H3
InChIKeyBHTATCJDYVZHJK-UHFFFAOYSA-N
MW181.19 g/mol
LogP0.76
Rot. Bonds3

About (2-oxo-1-pyridinyl)methyl propanoate

(2-oxo-1-pyridinyl)methyl propanoate (PubChem CID 10329950) has the molecular formula C9H11NO3 and a molecular weight of 181.19 g/mol. Its IUPAC name is (2-oxo-1-pyridinyl)methyl propanoate.

Molecular Properties

Compound Name(2-oxo-1-pyridinyl)methyl propanoate
PubChem CID10329950
Molecular FormulaC9H11NO3
Molecular Weight181.19 g/mol
Exact Mass181.07
IUPAC Name(2-oxo-1-pyridinyl)methyl propanoate
SMILESCCC(=O)OCn1ccccc1=O
InChIInChI=1S/C9H11NO3/c1-2-9(12)13-7-10-6-4-3-5-8(10)11/h3-6H,2,7H2,1H3
InChIKeyBHTATCJDYVZHJK-UHFFFAOYSA-N
XLogP0.76
TPSA48.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.19
LogP ≤ 50.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2-oxo-1-pyridinyl)methyl propanoate?
The IUPAC name of (2-oxo-1-pyridinyl)methyl propanoate (CID 10329950) is (2-oxo-1-pyridinyl)methyl propanoate.
What is the SMILES notation for (2-oxo-1-pyridinyl)methyl propanoate?
The canonical SMILES for (2-oxo-1-pyridinyl)methyl propanoate is CCC(=O)OCn1ccccc1=O.
What is the InChIKey of (2-oxo-1-pyridinyl)methyl propanoate?
The InChIKey is BHTATCJDYVZHJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO3/c1-2-9(12)13-7-10-6-4-3-5-8(10)11/h3-6H,2,7H2,1H3.
What are the key properties of (2-oxo-1-pyridinyl)methyl propanoate?
(2-oxo-1-pyridinyl)methyl propanoate has a molecular weight of 181.19 g/mol, XLogP of 0.76, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-oxo-1-pyridinyl)methyl propanoate is sourced from PubChem (CID 10329950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).