(3Z)-3-[(Z)-[(E)-2-methyl-3-phenylprop-2-enylidene]hydrazinylidene]-1H-indol-2-one

C18H15N3O — CID 136828463

IUPAC(3Z)-3-[(Z)-[(E)-2-methyl-3-phenylprop-2-enylidene]hydrazinylidene]-1H-indol-2-one
SMILESCC(/C=N\N=C1/C(=O)Nc2ccccc21)=C\c1ccccc1
InChIInChI=1S/C18H15N3O/c1-13(11-14-7-3-2-4-8-14)12-19-21-17-15-9-5-6-10-16(15)20-18(17)22/h2-12H,1H3,(H,20,21,22)/b13-11+,19-12-
InChIKeyZTPSJMXRTKMSCQ-KCVQHHRGSA-N
MW289.34 g/mol
LogP3.52
Rot. Bonds3

About (3Z)-3-[(Z)-[(E)-2-methyl-3-phenylprop-2-enylidene]hydrazinylidene]-1H-indol-2-one

(3Z)-3-[(Z)-[(E)-2-methyl-3-phenylprop-2-enylidene]hydrazinylidene]-1H-indol-2-one (PubChem CID 136828463) has the molecular formula C18H15N3O and a molecular weight of 289.34 g/mol. Its IUPAC name is (3Z)-3-[(Z)-[(E)-2-methyl-3-phenylprop-2-enylidene]hydrazinylidene]-1H-indol-2-one.

Molecular Properties

Compound Name(3Z)-3-[(Z)-[(E)-2-methyl-3-phenylprop-2-enylidene]hydrazinylidene]-1H-indol-2-one
PubChem CID136828463
Molecular FormulaC18H15N3O
Molecular Weight289.34 g/mol
Exact Mass289.12
IUPAC Name(3Z)-3-[(Z)-[(E)-2-methyl-3-phenylprop-2-enylidene]hydrazinylidene]-1H-indol-2-one
SMILESCC(/C=N\N=C1/C(=O)Nc2ccccc21)=C\c1ccccc1
InChIInChI=1S/C18H15N3O/c1-13(11-14-7-3-2-4-8-14)12-19-21-17-15-9-5-6-10-16(15)20-18(17)22/h2-12H,1H3,(H,20,21,22)/b13-11+,19-12-
InChIKeyZTPSJMXRTKMSCQ-KCVQHHRGSA-N
XLogP3.52
TPSA53.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

N-[4-[[(2-oxo-1H-indol-3-ylidene)hydrazinylidene]methyl]phenyl]acetamide
CID 135500421
(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
(3Z)-3-[(4-ethoxyphenyl)methylidenehydrazinylidene]-1H-indol-2-one
CID 135823201
3-(benzhydrylidenehydrazinylidene)-1H-indol-2-one
CID 135521199
3-[(2-fluorophenyl)methylidenehydrazinylidene]-1H-indol-2-one
CID 135537355
(3Z)-3-[(3,4,5-trimethoxyphenyl)methylidenehydrazinylidene]-1H-indol-2-one
CID 135674247
(3Z)-3-[(Z)-(4-nitrophenyl)methylidenehydrazinylidene]-1H-indol-2-one
CID 135603924
(3Z)-3-[(E)-thiophen-2-ylmethylidenehydrazinylidene]-1H-indol-2-one
CID 135411606
(3E)-3-[(E)-3-methyl-2-oxo-4-phenylbut-3-enylidene]-1H-indol-2-one
CID 10446890
[(Z)-(2-oxo-1H-indol-3-ylidene)amino] acetate
CID 136661922

Frequently Asked Questions

What is the IUPAC name of (3Z)-3-[(Z)-[(E)-2-methyl-3-phenylprop-2-enylidene]hydrazinylidene]-1H-indol-2-one?
The IUPAC name of (3Z)-3-[(Z)-[(E)-2-methyl-3-phenylprop-2-enylidene]hydrazinylidene]-1H-indol-2-one (CID 136828463) is (3Z)-3-[(Z)-[(E)-2-methyl-3-phenylprop-2-enylidene]hydrazinylidene]-1H-indol-2-one.
What is the SMILES notation for (3Z)-3-[(Z)-[(E)-2-methyl-3-phenylprop-2-enylidene]hydrazinylidene]-1H-indol-2-one?
The canonical SMILES for (3Z)-3-[(Z)-[(E)-2-methyl-3-phenylprop-2-enylidene]hydrazinylidene]-1H-indol-2-one is CC(/C=N\N=C1/C(=O)Nc2ccccc21)=C\c1ccccc1.
What is the InChIKey of (3Z)-3-[(Z)-[(E)-2-methyl-3-phenylprop-2-enylidene]hydrazinylidene]-1H-indol-2-one?
The InChIKey is ZTPSJMXRTKMSCQ-KCVQHHRGSA-N. The full InChI is InChI=1S/C18H15N3O/c1-13(11-14-7-3-2-4-8-14)12-19-21-17-15-9-5-6-10-16(15)20-18(17)22/h2-12H,1H3,(H,20,21,22)/b13-11+,19-12-.
What are the key properties of (3Z)-3-[(Z)-[(E)-2-methyl-3-phenylprop-2-enylidene]hydrazinylidene]-1H-indol-2-one?
(3Z)-3-[(Z)-[(E)-2-methyl-3-phenylprop-2-enylidene]hydrazinylidene]-1H-indol-2-one has a molecular weight of 289.34 g/mol, XLogP of 3.52, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-3-[(Z)-[(E)-2-methyl-3-phenylprop-2-enylidene]hydrazinylidene]-1H-indol-2-one is sourced from PubChem (CID 136828463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).