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

C13H11NO2 — CID 5368324

IUPAC(6E)-6-[(N-hydroxyanilino)methylidene]cyclohexa-2,4-dien-1-one
SMILESO=C1C=CC=C/C1=C\N(O)c1ccccc1
InChIInChI=1S/C13H11NO2/c15-13-9-5-4-6-11(13)10-14(16)12-7-2-1-3-8-12/h1-10,16H/b11-10+
InChIKeyXXGSSBOYMORQSP-ZHACJKMWSA-N
MW213.24 g/mol
LogP2.46
Rot. Bonds2

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

(6E)-6-[(N-hydroxyanilino)methylidene]cyclohexa-2,4-dien-1-one (PubChem CID 5368324) has the molecular formula C13H11NO2 and a molecular weight of 213.24 g/mol. Its IUPAC name is (6E)-6-[(N-hydroxyanilino)methylidene]cyclohexa-2,4-dien-1-one.

Molecular Properties

Compound Name(6E)-6-[(N-hydroxyanilino)methylidene]cyclohexa-2,4-dien-1-one
PubChem CID5368324
Molecular FormulaC13H11NO2
Molecular Weight213.24 g/mol
Exact Mass213.08
IUPAC Name(6E)-6-[(N-hydroxyanilino)methylidene]cyclohexa-2,4-dien-1-one
SMILESO=C1C=CC=C/C1=C\N(O)c1ccccc1
InChIInChI=1S/C13H11NO2/c15-13-9-5-4-6-11(13)10-14(16)12-7-2-1-3-8-12/h1-10,16H/b11-10+
InChIKeyXXGSSBOYMORQSP-ZHACJKMWSA-N
XLogP2.46
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.24
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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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Frequently Asked Questions

What is the IUPAC name of (6E)-6-[(N-hydroxyanilino)methylidene]cyclohexa-2,4-dien-1-one?
The IUPAC name of (6E)-6-[(N-hydroxyanilino)methylidene]cyclohexa-2,4-dien-1-one (CID 5368324) is (6E)-6-[(N-hydroxyanilino)methylidene]cyclohexa-2,4-dien-1-one.
What is the SMILES notation for (6E)-6-[(N-hydroxyanilino)methylidene]cyclohexa-2,4-dien-1-one?
The canonical SMILES for (6E)-6-[(N-hydroxyanilino)methylidene]cyclohexa-2,4-dien-1-one is O=C1C=CC=C/C1=C\N(O)c1ccccc1.
What is the InChIKey of (6E)-6-[(N-hydroxyanilino)methylidene]cyclohexa-2,4-dien-1-one?
The InChIKey is XXGSSBOYMORQSP-ZHACJKMWSA-N. The full InChI is InChI=1S/C13H11NO2/c15-13-9-5-4-6-11(13)10-14(16)12-7-2-1-3-8-12/h1-10,16H/b11-10+.
What are the key properties of (6E)-6-[(N-hydroxyanilino)methylidene]cyclohexa-2,4-dien-1-one?
(6E)-6-[(N-hydroxyanilino)methylidene]cyclohexa-2,4-dien-1-one has a molecular weight of 213.24 g/mol, XLogP of 2.46, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6E)-6-[(N-hydroxyanilino)methylidene]cyclohexa-2,4-dien-1-one is sourced from PubChem (CID 5368324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).