2-amino-6-phenylpyran-4-one

C11H9NO2 — CID 22141693

IUPAC2-amino-6-phenylpyran-4-one
SMILESNc1cc(=O)cc(-c2ccccc2)o1
InChIInChI=1S/C11H9NO2/c12-11-7-9(13)6-10(14-11)8-4-2-1-3-5-8/h1-7H,12H2
InChIKeyBQFSUTKRBKUWTL-UHFFFAOYSA-N
MW187.20 g/mol
LogP1.89
Rot. Bonds1

About 2-amino-6-phenylpyran-4-one

2-amino-6-phenylpyran-4-one (PubChem CID 22141693) has the molecular formula C11H9NO2 and a molecular weight of 187.20 g/mol. Its IUPAC name is 2-amino-6-phenylpyran-4-one.

Molecular Properties

Compound Name2-amino-6-phenylpyran-4-one
PubChem CID22141693
Molecular FormulaC11H9NO2
Molecular Weight187.20 g/mol
Exact Mass187.06
IUPAC Name2-amino-6-phenylpyran-4-one
SMILESNc1cc(=O)cc(-c2ccccc2)o1
InChIInChI=1S/C11H9NO2/c12-11-7-9(13)6-10(14-11)8-4-2-1-3-5-8/h1-7H,12H2
InChIKeyBQFSUTKRBKUWTL-UHFFFAOYSA-N
XLogP1.89
TPSA56.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.20
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-amino-6-phenylpyran-4-one?
The IUPAC name of 2-amino-6-phenylpyran-4-one (CID 22141693) is 2-amino-6-phenylpyran-4-one.
What is the SMILES notation for 2-amino-6-phenylpyran-4-one?
The canonical SMILES for 2-amino-6-phenylpyran-4-one is Nc1cc(=O)cc(-c2ccccc2)o1.
What is the InChIKey of 2-amino-6-phenylpyran-4-one?
The InChIKey is BQFSUTKRBKUWTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9NO2/c12-11-7-9(13)6-10(14-11)8-4-2-1-3-5-8/h1-7H,12H2.
What are the key properties of 2-amino-6-phenylpyran-4-one?
2-amino-6-phenylpyran-4-one has a molecular weight of 187.20 g/mol, XLogP of 1.89, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-phenylpyran-4-one is sourced from PubChem (CID 22141693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).