(4-oxo-1-pyridinyl) 1-phenylpropan-2-yl carbonate

C15H15NO4 — CID 21259829

IUPAC(4-oxo-1-pyridinyl) 1-phenylpropan-2-yl carbonate
SMILESCC(Cc1ccccc1)OC(=O)On1ccc(=O)cc1
InChIInChI=1S/C15H15NO4/c1-12(11-13-5-3-2-4-6-13)19-15(18)20-16-9-7-14(17)8-10-16/h2-10,12H,11H2,1H3
InChIKeyNBNKDTHHXLTMOG-UHFFFAOYSA-N
MW273.29 g/mol
LogP2.04
Rot. Bonds4

About (4-oxo-1-pyridinyl) 1-phenylpropan-2-yl carbonate

(4-oxo-1-pyridinyl) 1-phenylpropan-2-yl carbonate (PubChem CID 21259829) has the molecular formula C15H15NO4 and a molecular weight of 273.29 g/mol. Its IUPAC name is (4-oxo-1-pyridinyl) 1-phenylpropan-2-yl carbonate.

Molecular Properties

Compound Name(4-oxo-1-pyridinyl) 1-phenylpropan-2-yl carbonate
PubChem CID21259829
Molecular FormulaC15H15NO4
Molecular Weight273.29 g/mol
Exact Mass273.10
IUPAC Name(4-oxo-1-pyridinyl) 1-phenylpropan-2-yl carbonate
SMILESCC(Cc1ccccc1)OC(=O)On1ccc(=O)cc1
InChIInChI=1S/C15H15NO4/c1-12(11-13-5-3-2-4-6-13)19-15(18)20-16-9-7-14(17)8-10-16/h2-10,12H,11H2,1H3
InChIKeyNBNKDTHHXLTMOG-UHFFFAOYSA-N
XLogP2.04
TPSA57.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.29
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (4-oxo-1-pyridinyl) 1-phenylpropan-2-yl carbonate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (4-oxo-1-pyridinyl) 1-phenylpropan-2-yl carbonate?
The IUPAC name of (4-oxo-1-pyridinyl) 1-phenylpropan-2-yl carbonate (CID 21259829) is (4-oxo-1-pyridinyl) 1-phenylpropan-2-yl carbonate.
What is the SMILES notation for (4-oxo-1-pyridinyl) 1-phenylpropan-2-yl carbonate?
The canonical SMILES for (4-oxo-1-pyridinyl) 1-phenylpropan-2-yl carbonate is CC(Cc1ccccc1)OC(=O)On1ccc(=O)cc1.
What is the InChIKey of (4-oxo-1-pyridinyl) 1-phenylpropan-2-yl carbonate?
The InChIKey is NBNKDTHHXLTMOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO4/c1-12(11-13-5-3-2-4-6-13)19-15(18)20-16-9-7-14(17)8-10-16/h2-10,12H,11H2,1H3.
What are the key properties of (4-oxo-1-pyridinyl) 1-phenylpropan-2-yl carbonate?
(4-oxo-1-pyridinyl) 1-phenylpropan-2-yl carbonate has a molecular weight of 273.29 g/mol, XLogP of 2.04, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-oxo-1-pyridinyl) 1-phenylpropan-2-yl carbonate is sourced from PubChem (CID 21259829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).