(6-oxo-2,3-dihydro-1H-pyridin-3-yl) acetate

C7H9NO3 — CID 101244582

IUPAC(6-oxo-2,3-dihydro-1H-pyridin-3-yl) acetate
SMILESCC(=O)OC1C=CC(=O)NC1
InChIInChI=1S/C7H9NO3/c1-5(9)11-6-2-3-7(10)8-4-6/h2-3,6H,4H2,1H3,(H,8,10)
InChIKeyHJRCUTSOYNTHOM-UHFFFAOYSA-N
MW155.15 g/mol
LogP-0.40
Rot. Bonds1

About (6-oxo-2,3-dihydro-1H-pyridin-3-yl) acetate

(6-oxo-2,3-dihydro-1H-pyridin-3-yl) acetate (PubChem CID 101244582) has the molecular formula C7H9NO3 and a molecular weight of 155.15 g/mol. Its IUPAC name is (6-oxo-2,3-dihydro-1H-pyridin-3-yl) acetate.

Molecular Properties

Compound Name(6-oxo-2,3-dihydro-1H-pyridin-3-yl) acetate
PubChem CID101244582
Molecular FormulaC7H9NO3
Molecular Weight155.15 g/mol
Exact Mass155.06
IUPAC Name(6-oxo-2,3-dihydro-1H-pyridin-3-yl) acetate
SMILESCC(=O)OC1C=CC(=O)NC1
InChIInChI=1S/C7H9NO3/c1-5(9)11-6-2-3-7(10)8-4-6/h2-3,6H,4H2,1H3,(H,8,10)
InChIKeyHJRCUTSOYNTHOM-UHFFFAOYSA-N
XLogP-0.40
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.15
LogP ≤ 5-0.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (6-oxo-2,3-dihydro-1H-pyridin-3-yl) acetate?
The IUPAC name of (6-oxo-2,3-dihydro-1H-pyridin-3-yl) acetate (CID 101244582) is (6-oxo-2,3-dihydro-1H-pyridin-3-yl) acetate.
What is the SMILES notation for (6-oxo-2,3-dihydro-1H-pyridin-3-yl) acetate?
The canonical SMILES for (6-oxo-2,3-dihydro-1H-pyridin-3-yl) acetate is CC(=O)OC1C=CC(=O)NC1.
What is the InChIKey of (6-oxo-2,3-dihydro-1H-pyridin-3-yl) acetate?
The InChIKey is HJRCUTSOYNTHOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9NO3/c1-5(9)11-6-2-3-7(10)8-4-6/h2-3,6H,4H2,1H3,(H,8,10).
What are the key properties of (6-oxo-2,3-dihydro-1H-pyridin-3-yl) acetate?
(6-oxo-2,3-dihydro-1H-pyridin-3-yl) acetate has a molecular weight of 155.15 g/mol, XLogP of -0.40, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6-oxo-2,3-dihydro-1H-pyridin-3-yl) acetate is sourced from PubChem (CID 101244582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).