(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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Related Compounds

(6E)-6-[(N-hydroxyanilino)methylidene]cyclohexa-2,4-dien-1-one
CID 5368324
(1Z)-1-[(N-hydroxy-4-nitroanilino)methylidene]naphthalen-2-one
CID 12963086
N-[[6-(nitrosomethylidene)cyclohexa-2,4-dien-1-ylidene]methyl]-N-phenylhydroxylamine
CID 173337489
(6E)-6-[(N,3-dihydroxyanilino)methylidene]cyclohexa-2,4-dien-1-one
CID 22807854
CID 122398386
CID 122398386
2-chloro-N-(2-chloroacetyl)-N-phenylacetamide
CID 82309091
2,5-bis[N-(hydroxymethyl)anilino]cyclohexa-2,5-diene-1,4-dione
CID 139763333
1,1-diphenylurea
CID 174849888
N,N-diphenylhydroxylamine;phosphoric acid
CID 175346911
sodium 2-hydroxycyclohepta-2,4,6-trien-1-one
CID 23036587
2-hydroxycyclohepta-2,4,6-trien-1-one;nickel(2+)
CID 23036585
N-(4-aminophenyl)-N-(N-phenylanilino)formamide
CID 19353740

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).