(3E)-3-[(E)-(3,4-dihydroxyphenyl)methylidenehydrazinylidene]-1H-indol-2-one

C15H11N3O3 — CID 135691037

IUPAC(3E)-3-[(E)-(3,4-dihydroxyphenyl)methylidenehydrazinylidene]-1H-indol-2-one
SMILESO=C1Nc2ccccc2/C1=N\N=C\c1ccc(O)c(O)c1
InChIInChI=1S/C15H11N3O3/c19-12-6-5-9(7-13(12)20)8-16-18-14-10-3-1-2-4-11(10)17-15(14)21/h1-8,19-20H,(H,17,18,21)/b16-8+
InChIKeyHDMQKADUFHATFZ-LZYBPNLTSA-N
MW281.27 g/mol
LogP1.87
Rot. Bonds2

About (3E)-3-[(E)-(3,4-dihydroxyphenyl)methylidenehydrazinylidene]-1H-indol-2-one

(3E)-3-[(E)-(3,4-dihydroxyphenyl)methylidenehydrazinylidene]-1H-indol-2-one (PubChem CID 135691037) has the molecular formula C15H11N3O3 and a molecular weight of 281.27 g/mol. Its IUPAC name is (3E)-3-[(E)-(3,4-dihydroxyphenyl)methylidenehydrazinylidene]-1H-indol-2-one.

Molecular Properties

Compound Name(3E)-3-[(E)-(3,4-dihydroxyphenyl)methylidenehydrazinylidene]-1H-indol-2-one
PubChem CID135691037
Molecular FormulaC15H11N3O3
Molecular Weight281.27 g/mol
Exact Mass281.08
IUPAC Name(3E)-3-[(E)-(3,4-dihydroxyphenyl)methylidenehydrazinylidene]-1H-indol-2-one
SMILESO=C1Nc2ccccc2/C1=N\N=C\c1ccc(O)c(O)c1
InChIInChI=1S/C15H11N3O3/c19-12-6-5-9(7-13(12)20)8-16-18-14-10-3-1-2-4-11(10)17-15(14)21/h1-8,19-20H,(H,17,18,21)/b16-8+
InChIKeyHDMQKADUFHATFZ-LZYBPNLTSA-N
XLogP1.87
TPSA94.28 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.27
LogP ≤ 51.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_B(215)', 'substructure': 'N/A'}, {'alert_name': 'imine_one_isatin(189)', 'substructure': 'N/A'}, {'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3E)-3-[(E)-(3,4-dihydroxyphenyl)methylidenehydrazinylidene]-1H-indol-2-one?
The IUPAC name of (3E)-3-[(E)-(3,4-dihydroxyphenyl)methylidenehydrazinylidene]-1H-indol-2-one (CID 135691037) is (3E)-3-[(E)-(3,4-dihydroxyphenyl)methylidenehydrazinylidene]-1H-indol-2-one.
What is the SMILES notation for (3E)-3-[(E)-(3,4-dihydroxyphenyl)methylidenehydrazinylidene]-1H-indol-2-one?
The canonical SMILES for (3E)-3-[(E)-(3,4-dihydroxyphenyl)methylidenehydrazinylidene]-1H-indol-2-one is O=C1Nc2ccccc2/C1=N\N=C\c1ccc(O)c(O)c1.
What is the InChIKey of (3E)-3-[(E)-(3,4-dihydroxyphenyl)methylidenehydrazinylidene]-1H-indol-2-one?
The InChIKey is HDMQKADUFHATFZ-LZYBPNLTSA-N. The full InChI is InChI=1S/C15H11N3O3/c19-12-6-5-9(7-13(12)20)8-16-18-14-10-3-1-2-4-11(10)17-15(14)21/h1-8,19-20H,(H,17,18,21)/b16-8+.
What are the key properties of (3E)-3-[(E)-(3,4-dihydroxyphenyl)methylidenehydrazinylidene]-1H-indol-2-one?
(3E)-3-[(E)-(3,4-dihydroxyphenyl)methylidenehydrazinylidene]-1H-indol-2-one has a molecular weight of 281.27 g/mol, XLogP of 1.87, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-3-[(E)-(3,4-dihydroxyphenyl)methylidenehydrazinylidene]-1H-indol-2-one is sourced from PubChem (CID 135691037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).