(3Z)-3-[(4-ethoxyphenyl)methylidenehydrazinylidene]-1H-indol-2-one

C17H15N3O2 — CID 135823201

IUPAC(3Z)-3-[(4-ethoxyphenyl)methylidenehydrazinylidene]-1H-indol-2-one
SMILESCCOc1ccc(C=N/N=C2\C(=O)Nc3ccccc32)cc1
InChIInChI=1S/C17H15N3O2/c1-2-22-13-9-7-12(8-10-13)11-18-20-16-14-5-3-4-6-15(14)19-17(16)21/h3-11H,2H2,1H3,(H,19,20,21)
InChIKeyGASAVLGPDREFCR-UHFFFAOYSA-N
MW293.33 g/mol
LogP2.86
Rot. Bonds4

About (3Z)-3-[(4-ethoxyphenyl)methylidenehydrazinylidene]-1H-indol-2-one

(3Z)-3-[(4-ethoxyphenyl)methylidenehydrazinylidene]-1H-indol-2-one (PubChem CID 135823201) has the molecular formula C17H15N3O2 and a molecular weight of 293.33 g/mol. Its IUPAC name is (3Z)-3-[(4-ethoxyphenyl)methylidenehydrazinylidene]-1H-indol-2-one.

Molecular Properties

Compound Name(3Z)-3-[(4-ethoxyphenyl)methylidenehydrazinylidene]-1H-indol-2-one
PubChem CID135823201
Molecular FormulaC17H15N3O2
Molecular Weight293.33 g/mol
Exact Mass293.12
IUPAC Name(3Z)-3-[(4-ethoxyphenyl)methylidenehydrazinylidene]-1H-indol-2-one
SMILESCCOc1ccc(C=N/N=C2\C(=O)Nc3ccccc32)cc1
InChIInChI=1S/C17H15N3O2/c1-2-22-13-9-7-12(8-10-13)11-18-20-16-14-5-3-4-6-15(14)19-17(16)21/h3-11H,2H2,1H3,(H,19,20,21)
InChIKeyGASAVLGPDREFCR-UHFFFAOYSA-N
XLogP2.86
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.33
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'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

(3Z)-3-[(E)-(4-fluorophenyl)methylidenehydrazinylidene]-1H-indol-2-one
CID 135425137
3-[(4-fluorophenyl)methylidenehydrazinylidene]-1H-indol-2-one
CID 135445848
3-[(4-bromophenyl)methylidenehydrazinylidene]-1H-indol-2-one
CID 135521060
3-(4-ethoxyphenyl)imino-1H-indol-2-one
CID 135502764
(3Z)-3-[(Z)-(4-ethoxyphenyl)methylidenehydrazinylidene]-1-methylindol-2-one
CID 9214007
N-[4-[[(2-oxo-1H-indol-3-ylidene)hydrazinylidene]methyl]phenyl]acetamide
CID 135500421
3-[(4-ethoxyphenyl)methylidene]-1H-indol-2-one
CID 2803146
(3Z)-3-[(Z)-(4-nitrophenyl)methylidenehydrazinylidene]-1H-indol-2-one
CID 135603924
(3Z)-3-[(E)-[3,4-bis(phenylmethoxy)phenyl]methylidenehydrazinylidene]-1H-indol-2-one
CID 162787009
(3Z)-3-[(3,4,5-trimethoxyphenyl)methylidenehydrazinylidene]-1H-indol-2-one
CID 135674247
(3E)-3-[(E)-quinolin-6-ylmethylidenehydrazinylidene]-1H-indol-2-one
CID 135676256
3-[(2-fluorophenyl)methylidenehydrazinylidene]-1H-indol-2-one
CID 135537355

Frequently Asked Questions

What is the IUPAC name of (3Z)-3-[(4-ethoxyphenyl)methylidenehydrazinylidene]-1H-indol-2-one?
The IUPAC name of (3Z)-3-[(4-ethoxyphenyl)methylidenehydrazinylidene]-1H-indol-2-one (CID 135823201) is (3Z)-3-[(4-ethoxyphenyl)methylidenehydrazinylidene]-1H-indol-2-one.
What is the SMILES notation for (3Z)-3-[(4-ethoxyphenyl)methylidenehydrazinylidene]-1H-indol-2-one?
The canonical SMILES for (3Z)-3-[(4-ethoxyphenyl)methylidenehydrazinylidene]-1H-indol-2-one is CCOc1ccc(C=N/N=C2\C(=O)Nc3ccccc32)cc1.
What is the InChIKey of (3Z)-3-[(4-ethoxyphenyl)methylidenehydrazinylidene]-1H-indol-2-one?
The InChIKey is GASAVLGPDREFCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O2/c1-2-22-13-9-7-12(8-10-13)11-18-20-16-14-5-3-4-6-15(14)19-17(16)21/h3-11H,2H2,1H3,(H,19,20,21).
What are the key properties of (3Z)-3-[(4-ethoxyphenyl)methylidenehydrazinylidene]-1H-indol-2-one?
(3Z)-3-[(4-ethoxyphenyl)methylidenehydrazinylidene]-1H-indol-2-one has a molecular weight of 293.33 g/mol, XLogP of 2.86, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-3-[(4-ethoxyphenyl)methylidenehydrazinylidene]-1H-indol-2-one is sourced from PubChem (CID 135823201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).