(3Z)-3-[(E)-(3,4-dichlorophenyl)methylidenehydrazinylidene]-1H-indol-2-one

C15H9Cl2N3O — CID 135971446

IUPAC(3Z)-3-[(E)-(3,4-dichlorophenyl)methylidenehydrazinylidene]-1H-indol-2-one
SMILESO=C1Nc2ccccc2/C1=N/N=C/c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C15H9Cl2N3O/c16-11-6-5-9(7-12(11)17)8-18-20-14-10-3-1-2-4-13(10)19-15(14)21/h1-8H,(H,19,20,21)/b18-8+
InChIKeyPOXRSMFHZYPDOD-QGMBQPNBSA-N
MW318.16 g/mol
LogP3.77
Rot. Bonds2

About (3Z)-3-[(E)-(3,4-dichlorophenyl)methylidenehydrazinylidene]-1H-indol-2-one

(3Z)-3-[(E)-(3,4-dichlorophenyl)methylidenehydrazinylidene]-1H-indol-2-one (PubChem CID 135971446) has the molecular formula C15H9Cl2N3O and a molecular weight of 318.16 g/mol. Its IUPAC name is (3Z)-3-[(E)-(3,4-dichlorophenyl)methylidenehydrazinylidene]-1H-indol-2-one.

Molecular Properties

Compound Name(3Z)-3-[(E)-(3,4-dichlorophenyl)methylidenehydrazinylidene]-1H-indol-2-one
PubChem CID135971446
Molecular FormulaC15H9Cl2N3O
Molecular Weight318.16 g/mol
Exact Mass317.01
IUPAC Name(3Z)-3-[(E)-(3,4-dichlorophenyl)methylidenehydrazinylidene]-1H-indol-2-one
SMILESO=C1Nc2ccccc2/C1=N/N=C/c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C15H9Cl2N3O/c16-11-6-5-9(7-12(11)17)8-18-20-14-10-3-1-2-4-13(10)19-15(14)21/h1-8H,(H,19,20,21)/b18-8+
InChIKeyPOXRSMFHZYPDOD-QGMBQPNBSA-N
XLogP3.77
TPSA53.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.16
LogP ≤ 53.77
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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Frequently Asked Questions

What is the IUPAC name of (3Z)-3-[(E)-(3,4-dichlorophenyl)methylidenehydrazinylidene]-1H-indol-2-one?
The IUPAC name of (3Z)-3-[(E)-(3,4-dichlorophenyl)methylidenehydrazinylidene]-1H-indol-2-one (CID 135971446) is (3Z)-3-[(E)-(3,4-dichlorophenyl)methylidenehydrazinylidene]-1H-indol-2-one.
What is the SMILES notation for (3Z)-3-[(E)-(3,4-dichlorophenyl)methylidenehydrazinylidene]-1H-indol-2-one?
The canonical SMILES for (3Z)-3-[(E)-(3,4-dichlorophenyl)methylidenehydrazinylidene]-1H-indol-2-one is O=C1Nc2ccccc2/C1=N/N=C/c1ccc(Cl)c(Cl)c1.
What is the InChIKey of (3Z)-3-[(E)-(3,4-dichlorophenyl)methylidenehydrazinylidene]-1H-indol-2-one?
The InChIKey is POXRSMFHZYPDOD-QGMBQPNBSA-N. The full InChI is InChI=1S/C15H9Cl2N3O/c16-11-6-5-9(7-12(11)17)8-18-20-14-10-3-1-2-4-13(10)19-15(14)21/h1-8H,(H,19,20,21)/b18-8+.
What are the key properties of (3Z)-3-[(E)-(3,4-dichlorophenyl)methylidenehydrazinylidene]-1H-indol-2-one?
(3Z)-3-[(E)-(3,4-dichlorophenyl)methylidenehydrazinylidene]-1H-indol-2-one has a molecular weight of 318.16 g/mol, XLogP of 3.77, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-3-[(E)-(3,4-dichlorophenyl)methylidenehydrazinylidene]-1H-indol-2-one is sourced from PubChem (CID 135971446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).