(4E)-2-hydroxy-4-[(N-hydroxyanilino)methylidene]cyclohexa-2,5-dien-1-one

C13H11NO3 — CID 88775232

IUPAC(4E)-2-hydroxy-4-[(N-hydroxyanilino)methylidene]cyclohexa-2,5-dien-1-one
SMILESO=C1C=C/C(=C\N(O)c2ccccc2)C=C1O
InChIInChI=1S/C13H11NO3/c15-12-7-6-10(8-13(12)16)9-14(17)11-4-2-1-3-5-11/h1-9,16-17H/b10-9+
InChIKeyMVAOHICTPVMZLF-MDZDMXLPSA-N
MW229.24 g/mol
LogP2.35
Rot. Bonds2

About (4E)-2-hydroxy-4-[(N-hydroxyanilino)methylidene]cyclohexa-2,5-dien-1-one

(4E)-2-hydroxy-4-[(N-hydroxyanilino)methylidene]cyclohexa-2,5-dien-1-one (PubChem CID 88775232) has the molecular formula C13H11NO3 and a molecular weight of 229.24 g/mol. Its IUPAC name is (4E)-2-hydroxy-4-[(N-hydroxyanilino)methylidene]cyclohexa-2,5-dien-1-one.

Molecular Properties

Compound Name(4E)-2-hydroxy-4-[(N-hydroxyanilino)methylidene]cyclohexa-2,5-dien-1-one
PubChem CID88775232
Molecular FormulaC13H11NO3
Molecular Weight229.24 g/mol
Exact Mass229.07
IUPAC Name(4E)-2-hydroxy-4-[(N-hydroxyanilino)methylidene]cyclohexa-2,5-dien-1-one
SMILESO=C1C=C/C(=C\N(O)c2ccccc2)C=C1O
InChIInChI=1S/C13H11NO3/c15-12-7-6-10(8-13(12)16)9-14(17)11-4-2-1-3-5-11/h1-9,16-17H/b10-9+
InChIKeyMVAOHICTPVMZLF-MDZDMXLPSA-N
XLogP2.35
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.24
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (4E)-2-hydroxy-4-[(N-hydroxyanilino)methylidene]cyclohexa-2,5-dien-1-one?
The IUPAC name of (4E)-2-hydroxy-4-[(N-hydroxyanilino)methylidene]cyclohexa-2,5-dien-1-one (CID 88775232) is (4E)-2-hydroxy-4-[(N-hydroxyanilino)methylidene]cyclohexa-2,5-dien-1-one.
What is the SMILES notation for (4E)-2-hydroxy-4-[(N-hydroxyanilino)methylidene]cyclohexa-2,5-dien-1-one?
The canonical SMILES for (4E)-2-hydroxy-4-[(N-hydroxyanilino)methylidene]cyclohexa-2,5-dien-1-one is O=C1C=C/C(=C\N(O)c2ccccc2)C=C1O.
What is the InChIKey of (4E)-2-hydroxy-4-[(N-hydroxyanilino)methylidene]cyclohexa-2,5-dien-1-one?
The InChIKey is MVAOHICTPVMZLF-MDZDMXLPSA-N. The full InChI is InChI=1S/C13H11NO3/c15-12-7-6-10(8-13(12)16)9-14(17)11-4-2-1-3-5-11/h1-9,16-17H/b10-9+.
What are the key properties of (4E)-2-hydroxy-4-[(N-hydroxyanilino)methylidene]cyclohexa-2,5-dien-1-one?
(4E)-2-hydroxy-4-[(N-hydroxyanilino)methylidene]cyclohexa-2,5-dien-1-one has a molecular weight of 229.24 g/mol, XLogP of 2.35, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4E)-2-hydroxy-4-[(N-hydroxyanilino)methylidene]cyclohexa-2,5-dien-1-one is sourced from PubChem (CID 88775232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).