4-oxo-6-phenylpyran-2-carboxamide

C12H9NO3 — CID 12846664

IUPAC4-oxo-6-phenylpyran-2-carboxamide
SMILESNC(=O)c1cc(=O)cc(-c2ccccc2)o1
InChIInChI=1S/C12H9NO3/c13-12(15)11-7-9(14)6-10(16-11)8-4-2-1-3-5-8/h1-7H,(H2,13,15)
InChIKeyIQXOTPKIYMVLIP-UHFFFAOYSA-N
MW215.21 g/mol
LogP1.41
Rot. Bonds2

About 4-oxo-6-phenylpyran-2-carboxamide

4-oxo-6-phenylpyran-2-carboxamide (PubChem CID 12846664) has the molecular formula C12H9NO3 and a molecular weight of 215.21 g/mol. Its IUPAC name is 4-oxo-6-phenylpyran-2-carboxamide.

Molecular Properties

Compound Name4-oxo-6-phenylpyran-2-carboxamide
PubChem CID12846664
Molecular FormulaC12H9NO3
Molecular Weight215.21 g/mol
Exact Mass215.06
IUPAC Name4-oxo-6-phenylpyran-2-carboxamide
SMILESNC(=O)c1cc(=O)cc(-c2ccccc2)o1
InChIInChI=1S/C12H9NO3/c13-12(15)11-7-9(14)6-10(16-11)8-4-2-1-3-5-8/h1-7H,(H2,13,15)
InChIKeyIQXOTPKIYMVLIP-UHFFFAOYSA-N
XLogP1.41
TPSA73.30 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 ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-Benzyloxy-2-methyl-4-pyrone
CID 1490119
2,5-Cyclohexadiene-1,4-dione, 2-(phenylmethoxy)-
CID 5314262
2-(Benzyloxy)propanamide
CID 344960
2-(Benzyloxy)acetamide
CID 14984919
Acetonitrile, (3-oxo-5-phenyl-2(3H)-furanylidene)-
CID 6433051
(5Z)-2-phenyl-5-[(2E)-3-phenylprop-2-en-1-ylidene]-1,3-oxazol-4(5H)-one
CID 919313
3-(Benzyloxy)pyridin-2-ol
CID 15666452
Ainqqvkjucunje-uhfffaoysa-
CID 10998023
3-Benzyloxy-4-pyrone
CID 10899678
4H-chromene-2-carboxamide
CID 21918757
2-Azidomethyl-5-benzyloxy-pyran-4-one
CID 86725689
5-Benzyloxy-2-selenocyanatomethyl-4-pyranone
CID 134817402

Frequently Asked Questions

What is the IUPAC name of 4-oxo-6-phenylpyran-2-carboxamide?
The IUPAC name of 4-oxo-6-phenylpyran-2-carboxamide (CID 12846664) is 4-oxo-6-phenylpyran-2-carboxamide.
What is the SMILES notation for 4-oxo-6-phenylpyran-2-carboxamide?
The canonical SMILES for 4-oxo-6-phenylpyran-2-carboxamide is NC(=O)c1cc(=O)cc(-c2ccccc2)o1.
What is the InChIKey of 4-oxo-6-phenylpyran-2-carboxamide?
The InChIKey is IQXOTPKIYMVLIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9NO3/c13-12(15)11-7-9(14)6-10(16-11)8-4-2-1-3-5-8/h1-7H,(H2,13,15).
What are the key properties of 4-oxo-6-phenylpyran-2-carboxamide?
4-oxo-6-phenylpyran-2-carboxamide has a molecular weight of 215.21 g/mol, XLogP of 1.41, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxo-6-phenylpyran-2-carboxamide is sourced from PubChem (CID 12846664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).