(3Z)-3-[(E)-(2-chlorophenyl)methylidenehydrazinylidene]-1H-indol-2-one

C15H10ClN3O — CID 135452553

IUPAC(3Z)-3-[(E)-(2-chlorophenyl)methylidenehydrazinylidene]-1H-indol-2-one
SMILESO=C1Nc2ccccc2/C1=N/N=C/c1ccccc1Cl
InChIInChI=1S/C15H10ClN3O/c16-12-7-3-1-5-10(12)9-17-19-14-11-6-2-4-8-13(11)18-15(14)20/h1-9H,(H,18,19,20)/b17-9+
InChIKeyXVFKTKNVDOPQLA-RQZCQDPDSA-N
MW283.72 g/mol
LogP3.12
Rot. Bonds2

About (3Z)-3-[(E)-(2-chlorophenyl)methylidenehydrazinylidene]-1H-indol-2-one

(3Z)-3-[(E)-(2-chlorophenyl)methylidenehydrazinylidene]-1H-indol-2-one (PubChem CID 135452553) has the molecular formula C15H10ClN3O and a molecular weight of 283.72 g/mol. Its IUPAC name is (3Z)-3-[(E)-(2-chlorophenyl)methylidenehydrazinylidene]-1H-indol-2-one.

Molecular Properties

Compound Name(3Z)-3-[(E)-(2-chlorophenyl)methylidenehydrazinylidene]-1H-indol-2-one
PubChem CID135452553
Molecular FormulaC15H10ClN3O
Molecular Weight283.72 g/mol
Exact Mass283.05
IUPAC Name(3Z)-3-[(E)-(2-chlorophenyl)methylidenehydrazinylidene]-1H-indol-2-one
SMILESO=C1Nc2ccccc2/C1=N/N=C/c1ccccc1Cl
InChIInChI=1S/C15H10ClN3O/c16-12-7-3-1-5-10(12)9-17-19-14-11-6-2-4-8-13(11)18-15(14)20/h1-9H,(H,18,19,20)/b17-9+
InChIKeyXVFKTKNVDOPQLA-RQZCQDPDSA-N
XLogP3.12
TPSA53.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.72
LogP ≤ 53.12
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

3-((4-Chlorophenyl)imino)indolin-2-one
CID 135411931
3-(4-Methylanilino)indol-2-one
CID 135412515
2-Indolinone, 3-(phenylimino)-
CID 135442567
7-Chloro-3-(3-methylanilino)indol-2-one
CID 135444078
(3Z)-3-(2-chlorobenzylidene)-1,3-dihydro-2H-indol-2-one
CID 727521
(E)-3-(2,3-dichlorophenylimino)indolin-2-one
CID 135559217
3-(4-Fluoroanilino)indol-2-one
CID 135478724
3-((3-Chlorophenyl)imino)indolin-2-one
CID 135411932
3-(2,6-Dichlorobenzylidene)indolin-2-one
CID 2047325
2-Indolinone, 3-(methylimino)-
CID 135522218
4-Chloro-1,3-dihydro-2H-indol-2-one
CID 1480686
5-chloro-3-piperidin-1-ylimino-1H-indol-2-one
CID 136386182

Frequently Asked Questions

What is the IUPAC name of (3Z)-3-[(E)-(2-chlorophenyl)methylidenehydrazinylidene]-1H-indol-2-one?
The IUPAC name of (3Z)-3-[(E)-(2-chlorophenyl)methylidenehydrazinylidene]-1H-indol-2-one (CID 135452553) is (3Z)-3-[(E)-(2-chlorophenyl)methylidenehydrazinylidene]-1H-indol-2-one.
What is the SMILES notation for (3Z)-3-[(E)-(2-chlorophenyl)methylidenehydrazinylidene]-1H-indol-2-one?
The canonical SMILES for (3Z)-3-[(E)-(2-chlorophenyl)methylidenehydrazinylidene]-1H-indol-2-one is O=C1Nc2ccccc2/C1=N/N=C/c1ccccc1Cl.
What is the InChIKey of (3Z)-3-[(E)-(2-chlorophenyl)methylidenehydrazinylidene]-1H-indol-2-one?
The InChIKey is XVFKTKNVDOPQLA-RQZCQDPDSA-N. The full InChI is InChI=1S/C15H10ClN3O/c16-12-7-3-1-5-10(12)9-17-19-14-11-6-2-4-8-13(11)18-15(14)20/h1-9H,(H,18,19,20)/b17-9+.
What are the key properties of (3Z)-3-[(E)-(2-chlorophenyl)methylidenehydrazinylidene]-1H-indol-2-one?
(3Z)-3-[(E)-(2-chlorophenyl)methylidenehydrazinylidene]-1H-indol-2-one has a molecular weight of 283.72 g/mol, XLogP of 3.12, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-3-[(E)-(2-chlorophenyl)methylidenehydrazinylidene]-1H-indol-2-one is sourced from PubChem (CID 135452553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).