6-oxo-N-phenylpyran-2-carboxamide

C12H9NO3 — CID 2739561

IUPAC6-oxo-N-phenylpyran-2-carboxamide
SMILESO=C(Nc1ccccc1)c1cccc(=O)o1
InChIInChI=1S/C12H9NO3/c14-11-8-4-7-10(16-11)12(15)13-9-5-2-1-3-6-9/h1-8H,(H,13,15)
InChIKeyWXLCJALZCQOYMW-UHFFFAOYSA-N
MW215.21 g/mol
LogP1.89
Rot. Bonds2

About 6-oxo-N-phenylpyran-2-carboxamide

6-oxo-N-phenylpyran-2-carboxamide (PubChem CID 2739561) has the molecular formula C12H9NO3 and a molecular weight of 215.21 g/mol. Its IUPAC name is 6-oxo-N-phenylpyran-2-carboxamide.

Molecular Properties

Compound Name6-oxo-N-phenylpyran-2-carboxamide
PubChem CID2739561
Molecular FormulaC12H9NO3
Molecular Weight215.21 g/mol
Exact Mass215.06
IUPAC Name6-oxo-N-phenylpyran-2-carboxamide
SMILESO=C(Nc1ccccc1)c1cccc(=O)o1
InChIInChI=1S/C12H9NO3/c14-11-8-4-7-10(16-11)12(15)13-9-5-2-1-3-6-9/h1-8H,(H,13,15)
InChIKeyWXLCJALZCQOYMW-UHFFFAOYSA-N
XLogP1.89
TPSA59.31 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.21
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-oxo-N-phenylpyran-2-carboxamide?
The IUPAC name of 6-oxo-N-phenylpyran-2-carboxamide (CID 2739561) is 6-oxo-N-phenylpyran-2-carboxamide.
What is the SMILES notation for 6-oxo-N-phenylpyran-2-carboxamide?
The canonical SMILES for 6-oxo-N-phenylpyran-2-carboxamide is O=C(Nc1ccccc1)c1cccc(=O)o1.
What is the InChIKey of 6-oxo-N-phenylpyran-2-carboxamide?
The InChIKey is WXLCJALZCQOYMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9NO3/c14-11-8-4-7-10(16-11)12(15)13-9-5-2-1-3-6-9/h1-8H,(H,13,15).
What are the key properties of 6-oxo-N-phenylpyran-2-carboxamide?
6-oxo-N-phenylpyran-2-carboxamide has a molecular weight of 215.21 g/mol, XLogP of 1.89, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-oxo-N-phenylpyran-2-carboxamide is sourced from PubChem (CID 2739561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).