(3E)-3-[(E)-(2-hydroxy-5-methoxyphenyl)methylidenehydrazinylidene]-1H-indol-2-one

C16H13N3O3 — CID 135519990

IUPAC(3E)-3-[(E)-(2-hydroxy-5-methoxyphenyl)methylidenehydrazinylidene]-1H-indol-2-one
SMILESCOc1ccc(O)c(/C=N/N=C2/C(=O)Nc3ccccc32)c1
InChIInChI=1S/C16H13N3O3/c1-22-11-6-7-14(20)10(8-11)9-17-19-15-12-4-2-3-5-13(12)18-16(15)21/h2-9,20H,1H3,(H,18,19,21)/b17-9+
InChIKeyMPFWWEVVMHNDJX-RQZCQDPDSA-N
MW295.30 g/mol
LogP2.18
Rot. Bonds3

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

(3E)-3-[(E)-(2-hydroxy-5-methoxyphenyl)methylidenehydrazinylidene]-1H-indol-2-one (PubChem CID 135519990) has the molecular formula C16H13N3O3 and a molecular weight of 295.30 g/mol. Its IUPAC name is (3E)-3-[(E)-(2-hydroxy-5-methoxyphenyl)methylidenehydrazinylidene]-1H-indol-2-one.

Molecular Properties

Compound Name(3E)-3-[(E)-(2-hydroxy-5-methoxyphenyl)methylidenehydrazinylidene]-1H-indol-2-one
PubChem CID135519990
Molecular FormulaC16H13N3O3
Molecular Weight295.30 g/mol
Exact Mass295.10
IUPAC Name(3E)-3-[(E)-(2-hydroxy-5-methoxyphenyl)methylidenehydrazinylidene]-1H-indol-2-one
SMILESCOc1ccc(O)c(/C=N/N=C2/C(=O)Nc3ccccc32)c1
InChIInChI=1S/C16H13N3O3/c1-22-11-6-7-14(20)10(8-11)9-17-19-15-12-4-2-3-5-13(12)18-16(15)21/h2-9,20H,1H3,(H,18,19,21)/b17-9+
InChIKeyMPFWWEVVMHNDJX-RQZCQDPDSA-N
XLogP2.18
TPSA83.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.30
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', '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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Related Compounds

(3E)-3-[(4-Methoxyphenyl)imino]-1,3-dihydro-2H-indol-2-one
CID 135406018
(3E)-3-[(2,5-dimethoxyphenyl)methylidene]-1H-indol-2-one
CID 727459
N''-[(E)-(3-methoxy-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)methyl]-2-oxidanylidene-1H-quinoline-4-carbohydrazide
CID 135519979
4-[(2E)-2-(2-hydroxy-5-methoxybenzylidene)hydrazino]-N-(3-methylphenyl)-4-oxobutanamide
CID 135403927
(3E)-3-[(E)-(3-hydroxy-4-methoxyphenyl)methylidenehydrazinylidene]-1H-indol-2-one
CID 135460488
4-[(2E)-2-(2-hydroxy-5-methoxybenzylidene)hydrazino]-N-(4-methylphenyl)-4-oxobutanamide
CID 135752415
N-(4-Fluorophenyl)-3-{N'-[(E)-(2-hydroxy-5-methoxyphenyl)methylidene]hydrazinecarbonyl}propanamide
CID 135821508
N'-[(E)-(2-hydroxy-5-methoxyphenyl)methylidene]-3-(2-oxopyrrolidin-1-yl)benzohydrazide
CID 135411841
(3E)-3-[(E)-(3,4-dihydroxyphenyl)methylidenehydrazinylidene]-1H-indol-2-one
CID 135691037
(3E)-3-[(E)-(4-hydroxy-3,5-dimethoxyphenyl)methylidenehydrazinylidene]-1H-indol-2-one
CID 135521470
3-{2-[(4-hydroxy-3-methoxyphenyl)methylidene]hydrazin-1-ylidene}-2,3-dihydro-1H-indol-2-one
CID 135521614
(3Z)-3-[(2E)-(3-hydroxybenzylidene)hydrazinylidene]-1,3-dihydro-2H-indol-2-one
CID 135648569

Frequently Asked Questions

What is the IUPAC name of (3E)-3-[(E)-(2-hydroxy-5-methoxyphenyl)methylidenehydrazinylidene]-1H-indol-2-one?
The IUPAC name of (3E)-3-[(E)-(2-hydroxy-5-methoxyphenyl)methylidenehydrazinylidene]-1H-indol-2-one (CID 135519990) is (3E)-3-[(E)-(2-hydroxy-5-methoxyphenyl)methylidenehydrazinylidene]-1H-indol-2-one.
What is the SMILES notation for (3E)-3-[(E)-(2-hydroxy-5-methoxyphenyl)methylidenehydrazinylidene]-1H-indol-2-one?
The canonical SMILES for (3E)-3-[(E)-(2-hydroxy-5-methoxyphenyl)methylidenehydrazinylidene]-1H-indol-2-one is COc1ccc(O)c(/C=N/N=C2/C(=O)Nc3ccccc32)c1.
What is the InChIKey of (3E)-3-[(E)-(2-hydroxy-5-methoxyphenyl)methylidenehydrazinylidene]-1H-indol-2-one?
The InChIKey is MPFWWEVVMHNDJX-RQZCQDPDSA-N. The full InChI is InChI=1S/C16H13N3O3/c1-22-11-6-7-14(20)10(8-11)9-17-19-15-12-4-2-3-5-13(12)18-16(15)21/h2-9,20H,1H3,(H,18,19,21)/b17-9+.
What are the key properties of (3E)-3-[(E)-(2-hydroxy-5-methoxyphenyl)methylidenehydrazinylidene]-1H-indol-2-one?
(3E)-3-[(E)-(2-hydroxy-5-methoxyphenyl)methylidenehydrazinylidene]-1H-indol-2-one has a molecular weight of 295.30 g/mol, XLogP of 2.18, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-3-[(E)-(2-hydroxy-5-methoxyphenyl)methylidenehydrazinylidene]-1H-indol-2-one is sourced from PubChem (CID 135519990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).