(6E)-6-[(N,3-dihydroxyanilino)methylidene]cyclohexa-2,4-dien-1-one

C13H11NO3 — CID 22807854

IUPAC(6E)-6-[(N,3-dihydroxyanilino)methylidene]cyclohexa-2,4-dien-1-one
SMILESO=C1C=CC=C/C1=C\N(O)c1cccc(O)c1
InChIInChI=1S/C13H11NO3/c15-12-6-3-5-11(8-12)14(17)9-10-4-1-2-7-13(10)16/h1-9,15,17H/b10-9+
InChIKeyOYJLDQSTTDHGDC-MDZDMXLPSA-N
MW229.24 g/mol
LogP2.17
Rot. Bonds2

About (6E)-6-[(N,3-dihydroxyanilino)methylidene]cyclohexa-2,4-dien-1-one

(6E)-6-[(N,3-dihydroxyanilino)methylidene]cyclohexa-2,4-dien-1-one (PubChem CID 22807854) has the molecular formula C13H11NO3 and a molecular weight of 229.24 g/mol. Its IUPAC name is (6E)-6-[(N,3-dihydroxyanilino)methylidene]cyclohexa-2,4-dien-1-one.

Molecular Properties

Compound Name(6E)-6-[(N,3-dihydroxyanilino)methylidene]cyclohexa-2,4-dien-1-one
PubChem CID22807854
Molecular FormulaC13H11NO3
Molecular Weight229.24 g/mol
Exact Mass229.07
IUPAC Name(6E)-6-[(N,3-dihydroxyanilino)methylidene]cyclohexa-2,4-dien-1-one
SMILESO=C1C=CC=C/C1=C\N(O)c1cccc(O)c1
InChIInChI=1S/C13H11NO3/c15-12-6-3-5-11(8-12)14(17)9-10-4-1-2-7-13(10)16/h1-9,15,17H/b10-9+
InChIKeyOYJLDQSTTDHGDC-MDZDMXLPSA-N
XLogP2.17
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 ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(6Z)-6-[(N-hydroxy-3-methylanilino)methylidene]cyclohexa-2,4-dien-1-one
CID 177491993
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3-(dimethylamino)phenol;methoxymethane
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(3-hydroxyphenyl)-methylcarbamic acid
CID 20544632
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CID 107736260
(3-hydroxyphenyl)-prop-2-enylcarbamic acid
CID 70559245
bis(benzene-1,3-diol);formaldehyde
CID 174734201
2-amino-N-ethyl-N-(3-hydroxyphenyl)acetamide
CID 107734970
benzene-1,3-diol;tris(yttrium)
CID 23386139
bis(benzene-1,3-diol);hydrate
CID 174320343

Frequently Asked Questions

What is the IUPAC name of (6E)-6-[(N,3-dihydroxyanilino)methylidene]cyclohexa-2,4-dien-1-one?
The IUPAC name of (6E)-6-[(N,3-dihydroxyanilino)methylidene]cyclohexa-2,4-dien-1-one (CID 22807854) is (6E)-6-[(N,3-dihydroxyanilino)methylidene]cyclohexa-2,4-dien-1-one.
What is the SMILES notation for (6E)-6-[(N,3-dihydroxyanilino)methylidene]cyclohexa-2,4-dien-1-one?
The canonical SMILES for (6E)-6-[(N,3-dihydroxyanilino)methylidene]cyclohexa-2,4-dien-1-one is O=C1C=CC=C/C1=C\N(O)c1cccc(O)c1.
What is the InChIKey of (6E)-6-[(N,3-dihydroxyanilino)methylidene]cyclohexa-2,4-dien-1-one?
The InChIKey is OYJLDQSTTDHGDC-MDZDMXLPSA-N. The full InChI is InChI=1S/C13H11NO3/c15-12-6-3-5-11(8-12)14(17)9-10-4-1-2-7-13(10)16/h1-9,15,17H/b10-9+.
What are the key properties of (6E)-6-[(N,3-dihydroxyanilino)methylidene]cyclohexa-2,4-dien-1-one?
(6E)-6-[(N,3-dihydroxyanilino)methylidene]cyclohexa-2,4-dien-1-one has a molecular weight of 229.24 g/mol, XLogP of 2.17, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6E)-6-[(N,3-dihydroxyanilino)methylidene]cyclohexa-2,4-dien-1-one is sourced from PubChem (CID 22807854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).