(3E)-3-[(E)-(4-hydroxy-3,5-dimethoxyphenyl)methylidenehydrazinylidene]-1H-indol-2-one

C17H15N3O4 — CID 135521470

IUPAC(3E)-3-[(E)-(4-hydroxy-3,5-dimethoxyphenyl)methylidenehydrazinylidene]-1H-indol-2-one
SMILESCOc1cc(/C=N/N=C2/C(=O)Nc3ccccc32)cc(OC)c1O
InChIInChI=1S/C17H15N3O4/c1-23-13-7-10(8-14(24-2)16(13)21)9-18-20-15-11-5-3-4-6-12(11)19-17(15)22/h3-9,21H,1-2H3,(H,19,20,22)/b18-9+
InChIKeyFHXJMTSRDQRRCZ-GIJQJNRQSA-N
MW325.32 g/mol
LogP2.18
Rot. Bonds4

About (3E)-3-[(E)-(4-hydroxy-3,5-dimethoxyphenyl)methylidenehydrazinylidene]-1H-indol-2-one

(3E)-3-[(E)-(4-hydroxy-3,5-dimethoxyphenyl)methylidenehydrazinylidene]-1H-indol-2-one (PubChem CID 135521470) has the molecular formula C17H15N3O4 and a molecular weight of 325.32 g/mol. Its IUPAC name is (3E)-3-[(E)-(4-hydroxy-3,5-dimethoxyphenyl)methylidenehydrazinylidene]-1H-indol-2-one.

Molecular Properties

Compound Name(3E)-3-[(E)-(4-hydroxy-3,5-dimethoxyphenyl)methylidenehydrazinylidene]-1H-indol-2-one
PubChem CID135521470
Molecular FormulaC17H15N3O4
Molecular Weight325.32 g/mol
Exact Mass325.11
IUPAC Name(3E)-3-[(E)-(4-hydroxy-3,5-dimethoxyphenyl)methylidenehydrazinylidene]-1H-indol-2-one
SMILESCOc1cc(/C=N/N=C2/C(=O)Nc3ccccc32)cc(OC)c1O
InChIInChI=1S/C17H15N3O4/c1-23-13-7-10(8-14(24-2)16(13)21)9-18-20-15-11-5-3-4-6-12(11)19-17(15)22/h3-9,21H,1-2H3,(H,19,20,22)/b18-9+
InChIKeyFHXJMTSRDQRRCZ-GIJQJNRQSA-N
XLogP2.18
TPSA92.51 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.32
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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': 'imine_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 (3E)-3-[(E)-(4-hydroxy-3,5-dimethoxyphenyl)methylidenehydrazinylidene]-1H-indol-2-one?
The IUPAC name of (3E)-3-[(E)-(4-hydroxy-3,5-dimethoxyphenyl)methylidenehydrazinylidene]-1H-indol-2-one (CID 135521470) is (3E)-3-[(E)-(4-hydroxy-3,5-dimethoxyphenyl)methylidenehydrazinylidene]-1H-indol-2-one.
What is the SMILES notation for (3E)-3-[(E)-(4-hydroxy-3,5-dimethoxyphenyl)methylidenehydrazinylidene]-1H-indol-2-one?
The canonical SMILES for (3E)-3-[(E)-(4-hydroxy-3,5-dimethoxyphenyl)methylidenehydrazinylidene]-1H-indol-2-one is COc1cc(/C=N/N=C2/C(=O)Nc3ccccc32)cc(OC)c1O.
What is the InChIKey of (3E)-3-[(E)-(4-hydroxy-3,5-dimethoxyphenyl)methylidenehydrazinylidene]-1H-indol-2-one?
The InChIKey is FHXJMTSRDQRRCZ-GIJQJNRQSA-N. The full InChI is InChI=1S/C17H15N3O4/c1-23-13-7-10(8-14(24-2)16(13)21)9-18-20-15-11-5-3-4-6-12(11)19-17(15)22/h3-9,21H,1-2H3,(H,19,20,22)/b18-9+.
What are the key properties of (3E)-3-[(E)-(4-hydroxy-3,5-dimethoxyphenyl)methylidenehydrazinylidene]-1H-indol-2-one?
(3E)-3-[(E)-(4-hydroxy-3,5-dimethoxyphenyl)methylidenehydrazinylidene]-1H-indol-2-one has a molecular weight of 325.32 g/mol, XLogP of 2.18, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-3-[(E)-(4-hydroxy-3,5-dimethoxyphenyl)methylidenehydrazinylidene]-1H-indol-2-one is sourced from PubChem (CID 135521470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).