6-hydroxy-5-(phenyliminomethyl)pyran-2-one

C12H9NO3 — CID 136799206

IUPAC6-hydroxy-5-(phenyliminomethyl)pyran-2-one
SMILESO=c1ccc(/C=N/c2ccccc2)c(O)o1
InChIInChI=1S/C12H9NO3/c14-11-7-6-9(12(15)16-11)8-13-10-4-2-1-3-5-10/h1-8,15H/b13-8+
InChIKeyMVYDEDRXWHSEBX-MDWZMJQESA-N
MW215.21 g/mol
LogP2.10
Rot. Bonds2

About 6-hydroxy-5-(phenyliminomethyl)pyran-2-one

6-hydroxy-5-(phenyliminomethyl)pyran-2-one (PubChem CID 136799206) has the molecular formula C12H9NO3 and a molecular weight of 215.21 g/mol. Its IUPAC name is 6-hydroxy-5-(phenyliminomethyl)pyran-2-one.

Molecular Properties

Compound Name6-hydroxy-5-(phenyliminomethyl)pyran-2-one
PubChem CID136799206
Molecular FormulaC12H9NO3
Molecular Weight215.21 g/mol
Exact Mass215.06
IUPAC Name6-hydroxy-5-(phenyliminomethyl)pyran-2-one
SMILESO=c1ccc(/C=N/c2ccccc2)c(O)o1
InChIInChI=1S/C12H9NO3/c14-11-7-6-9(12(15)16-11)8-13-10-4-2-1-3-5-10/h1-8,15H/b13-8+
InChIKeyMVYDEDRXWHSEBX-MDWZMJQESA-N
XLogP2.10
TPSA62.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.21
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

6-Methyl-3-[(3-methylanilino)methylidene]pyran-2,4-dione
CID 135444432
3-[1-(Phenylamino) ethylidene]-6-methyl-3H-pyran-2,4-dione
CID 135399484
3-{[(4-Fluorophenyl)amino]methylene}-6-methylpyran-2,4-dione
CID 135476280
6-Methyl-3-[(phenylamino)methylene]pyran-2,4-dione
CID 135424150
Methyl 2-(anilinomethylidene)-3-oxobutanoate
CID 135441121
Methyl 2-[(E)-(2-fluorophenyl)aminomethylene]-3-oxobutanoate
CID 139060629
3-{[(4-Iodophenyl)amino]methylene}-6-methylpyran-2,4-dione
CID 135408105
6-Methyl-3-[(4-methylanilino)methylidene]pyran-2,4-dione
CID 135464927
2-Propenoic acid, 2-formyl-3-(phenylamino)-, methyl ester
CID 135822566
3-{[(3-Fluorophenyl)amino]methylene}-6-methylpyran-2,4-dione
CID 135500638
5-Bromo-3-[(2-fluorophenyl)iminomethyl]-6-hydroxypyran-2-one
CID 136040079
3-[(2-Fluorophenyl)iminomethyl]-4-hydroxy-6-methylpyran-2-one
CID 135496554

Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-5-(phenyliminomethyl)pyran-2-one?
The IUPAC name of 6-hydroxy-5-(phenyliminomethyl)pyran-2-one (CID 136799206) is 6-hydroxy-5-(phenyliminomethyl)pyran-2-one.
What is the SMILES notation for 6-hydroxy-5-(phenyliminomethyl)pyran-2-one?
The canonical SMILES for 6-hydroxy-5-(phenyliminomethyl)pyran-2-one is O=c1ccc(/C=N/c2ccccc2)c(O)o1.
What is the InChIKey of 6-hydroxy-5-(phenyliminomethyl)pyran-2-one?
The InChIKey is MVYDEDRXWHSEBX-MDWZMJQESA-N. The full InChI is InChI=1S/C12H9NO3/c14-11-7-6-9(12(15)16-11)8-13-10-4-2-1-3-5-10/h1-8,15H/b13-8+.
What are the key properties of 6-hydroxy-5-(phenyliminomethyl)pyran-2-one?
6-hydroxy-5-(phenyliminomethyl)pyran-2-one has a molecular weight of 215.21 g/mol, XLogP of 2.10, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-5-(phenyliminomethyl)pyran-2-one is sourced from PubChem (CID 136799206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).