(3Z)-1-hydroxy-3-[(4-hydroxyphenyl)methylidene]-5-methylpyrazine-2,6-dione

C12H10N2O4 — CID 102336927

IUPAC(3Z)-1-hydroxy-3-[(4-hydroxyphenyl)methylidene]-5-methylpyrazine-2,6-dione
SMILESCC1=N/C(=C\c2ccc(O)cc2)C(=O)N(O)C1=O
InChIInChI=1S/C12H10N2O4/c1-7-11(16)14(18)12(17)10(13-7)6-8-2-4-9(15)5-3-8/h2-6,15,18H,1H3/b10-6-
InChIKeyXWYZIVVLPYHMJH-POHAHGRESA-N
MW246.22 g/mol
LogP0.95
Rot. Bonds1

About (3Z)-1-hydroxy-3-[(4-hydroxyphenyl)methylidene]-5-methylpyrazine-2,6-dione

(3Z)-1-hydroxy-3-[(4-hydroxyphenyl)methylidene]-5-methylpyrazine-2,6-dione (PubChem CID 102336927) has the molecular formula C12H10N2O4 and a molecular weight of 246.22 g/mol. Its IUPAC name is (3Z)-1-hydroxy-3-[(4-hydroxyphenyl)methylidene]-5-methylpyrazine-2,6-dione.

Molecular Properties

Compound Name(3Z)-1-hydroxy-3-[(4-hydroxyphenyl)methylidene]-5-methylpyrazine-2,6-dione
PubChem CID102336927
Molecular FormulaC12H10N2O4
Molecular Weight246.22 g/mol
Exact Mass246.06
IUPAC Name(3Z)-1-hydroxy-3-[(4-hydroxyphenyl)methylidene]-5-methylpyrazine-2,6-dione
SMILESCC1=N/C(=C\c2ccc(O)cc2)C(=O)N(O)C1=O
InChIInChI=1S/C12H10N2O4/c1-7-11(16)14(18)12(17)10(13-7)6-8-2-4-9(15)5-3-8/h2-6,15,18H,1H3/b10-6-
InChIKeyXWYZIVVLPYHMJH-POHAHGRESA-N
XLogP0.95
TPSA90.20 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.22
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

(5Z)-5-[(4-hydroxyphenyl)methylidene]-2,3-dimethyl(213C)imidazol-4-one
CID 101181572
(5E)-3-butyl-5-[(4-hydroxyphenyl)methylidene]-2-methylimidazol-4-one
CID 102017980
(5Z)-5-[(4-hydroxyphenyl)methylidene]-3-methyl-2-[(E)-prop-1-enyl]imidazol-4-one
CID 70809012
4-[(4E)-4-[(4-hydroxyphenyl)methylidene]-2-methyl-5-oxoimidazol-1-yl]butanoic acid
CID 6447285
(5Z)-5-[(4-hydroxyphenyl)methylidene]-2,3-diphenylimidazol-4-one
CID 102169883
(5Z)-5-(furan-3-ylmethylidene)-3-(4-hydroxyphenyl)-2-methylimidazol-4-one
CID 162652500
2-[(4Z)-2-ethanimidoyl-4-[(4-hydroxyphenyl)methylidene]-5-oxoimidazol-1-yl]acetic acid
CID 137350180
(5Z)-5-[[4-[2-hydroxyethyl(methyl)amino]phenyl]methylidene]-2-[(E)-2-(4-hydroxyphenyl)ethenyl]-3-methylimidazol-4-one
CID 168727613
2-(4-bromophenyl)-4-[(4-hydroxyphenyl)methylidene]-5-methylpyrazol-3-one
CID 1105572
(3Z,6Z)-3,6-bis[(4-hydroxyphenyl)methylidene]piperazine-2,5-dione
CID 6048958
methyl (5Z)-5-[(4-fluorophenyl)methylidene]-4-hydroxy-2-methylpyrrole-3-carboxylate
CID 135708694
5-[(4-hydroxyphenyl)methylidene]-3-(4-methoxyanilino)-2-phenylimidazol-4-one
CID 1275583

Frequently Asked Questions

What is the IUPAC name of (3Z)-1-hydroxy-3-[(4-hydroxyphenyl)methylidene]-5-methylpyrazine-2,6-dione?
The IUPAC name of (3Z)-1-hydroxy-3-[(4-hydroxyphenyl)methylidene]-5-methylpyrazine-2,6-dione (CID 102336927) is (3Z)-1-hydroxy-3-[(4-hydroxyphenyl)methylidene]-5-methylpyrazine-2,6-dione.
What is the SMILES notation for (3Z)-1-hydroxy-3-[(4-hydroxyphenyl)methylidene]-5-methylpyrazine-2,6-dione?
The canonical SMILES for (3Z)-1-hydroxy-3-[(4-hydroxyphenyl)methylidene]-5-methylpyrazine-2,6-dione is CC1=N/C(=C\c2ccc(O)cc2)C(=O)N(O)C1=O.
What is the InChIKey of (3Z)-1-hydroxy-3-[(4-hydroxyphenyl)methylidene]-5-methylpyrazine-2,6-dione?
The InChIKey is XWYZIVVLPYHMJH-POHAHGRESA-N. The full InChI is InChI=1S/C12H10N2O4/c1-7-11(16)14(18)12(17)10(13-7)6-8-2-4-9(15)5-3-8/h2-6,15,18H,1H3/b10-6-.
What are the key properties of (3Z)-1-hydroxy-3-[(4-hydroxyphenyl)methylidene]-5-methylpyrazine-2,6-dione?
(3Z)-1-hydroxy-3-[(4-hydroxyphenyl)methylidene]-5-methylpyrazine-2,6-dione has a molecular weight of 246.22 g/mol, XLogP of 0.95, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-1-hydroxy-3-[(4-hydroxyphenyl)methylidene]-5-methylpyrazine-2,6-dione is sourced from PubChem (CID 102336927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).