(3Z)-5-chloro-3-[methyl(phenyl)hydrazinylidene]-1H-indol-2-one

C15H12ClN3O — CID 135747131

IUPAC(3Z)-5-chloro-3-[methyl(phenyl)hydrazinylidene]-1H-indol-2-one
SMILESCN(/N=C1\C(=O)Nc2ccc(Cl)cc21)c1ccccc1
InChIInChI=1S/C15H12ClN3O/c1-19(11-5-3-2-4-6-11)18-14-12-9-10(16)7-8-13(12)17-15(14)20/h2-9H,1H3,(H,17,18,20)
InChIKeyKPRXUAFMUYRYRH-UHFFFAOYSA-N
MW285.73 g/mol
LogP3.13
Rot. Bonds2

About (3Z)-5-chloro-3-[methyl(phenyl)hydrazinylidene]-1H-indol-2-one

(3Z)-5-chloro-3-[methyl(phenyl)hydrazinylidene]-1H-indol-2-one (PubChem CID 135747131) has the molecular formula C15H12ClN3O and a molecular weight of 285.73 g/mol. Its IUPAC name is (3Z)-5-chloro-3-[methyl(phenyl)hydrazinylidene]-1H-indol-2-one.

Molecular Properties

Compound Name(3Z)-5-chloro-3-[methyl(phenyl)hydrazinylidene]-1H-indol-2-one
PubChem CID135747131
Molecular FormulaC15H12ClN3O
Molecular Weight285.73 g/mol
Exact Mass285.07
IUPAC Name(3Z)-5-chloro-3-[methyl(phenyl)hydrazinylidene]-1H-indol-2-one
SMILESCN(/N=C1\C(=O)Nc2ccc(Cl)cc21)c1ccccc1
InChIInChI=1S/C15H12ClN3O/c1-19(11-5-3-2-4-6-11)18-14-12-9-10(16)7-8-13(12)17-15(14)20/h2-9H,1H3,(H,17,18,20)
InChIKeyKPRXUAFMUYRYRH-UHFFFAOYSA-N
XLogP3.13
TPSA44.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.73
LogP ≤ 53.13
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)-5-chloro-3-[methyl(phenyl)hydrazinylidene]-1H-indol-2-one?
The IUPAC name of (3Z)-5-chloro-3-[methyl(phenyl)hydrazinylidene]-1H-indol-2-one (CID 135747131) is (3Z)-5-chloro-3-[methyl(phenyl)hydrazinylidene]-1H-indol-2-one.
What is the SMILES notation for (3Z)-5-chloro-3-[methyl(phenyl)hydrazinylidene]-1H-indol-2-one?
The canonical SMILES for (3Z)-5-chloro-3-[methyl(phenyl)hydrazinylidene]-1H-indol-2-one is CN(/N=C1\C(=O)Nc2ccc(Cl)cc21)c1ccccc1.
What is the InChIKey of (3Z)-5-chloro-3-[methyl(phenyl)hydrazinylidene]-1H-indol-2-one?
The InChIKey is KPRXUAFMUYRYRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClN3O/c1-19(11-5-3-2-4-6-11)18-14-12-9-10(16)7-8-13(12)17-15(14)20/h2-9H,1H3,(H,17,18,20).
What are the key properties of (3Z)-5-chloro-3-[methyl(phenyl)hydrazinylidene]-1H-indol-2-one?
(3Z)-5-chloro-3-[methyl(phenyl)hydrazinylidene]-1H-indol-2-one has a molecular weight of 285.73 g/mol, XLogP of 3.13, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-5-chloro-3-[methyl(phenyl)hydrazinylidene]-1H-indol-2-one is sourced from PubChem (CID 135747131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).