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

C15H10BrN3O — CID 135521060

IUPAC3-[(4-bromophenyl)methylidenehydrazinylidene]-1H-indol-2-one
SMILESO=C1Nc2ccccc2C1=NN=Cc1ccc(Br)cc1
InChIInChI=1S/C15H10BrN3O/c16-11-7-5-10(6-8-11)9-17-19-14-12-3-1-2-4-13(12)18-15(14)20/h1-9H,(H,18,19,20)
InChIKeyHXQNMCVMVVJLLY-UHFFFAOYSA-N
MW328.17 g/mol
LogP3.22
Rot. Bonds2

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

3-[(4-bromophenyl)methylidenehydrazinylidene]-1H-indol-2-one (PubChem CID 135521060) has the molecular formula C15H10BrN3O and a molecular weight of 328.17 g/mol. Its IUPAC name is 3-[(4-bromophenyl)methylidenehydrazinylidene]-1H-indol-2-one.

Molecular Properties

Compound Name3-[(4-bromophenyl)methylidenehydrazinylidene]-1H-indol-2-one
PubChem CID135521060
Molecular FormulaC15H10BrN3O
Molecular Weight328.17 g/mol
Exact Mass327.00
IUPAC Name3-[(4-bromophenyl)methylidenehydrazinylidene]-1H-indol-2-one
SMILESO=C1Nc2ccccc2C1=NN=Cc1ccc(Br)cc1
InChIInChI=1S/C15H10BrN3O/c16-11-7-5-10(6-8-11)9-17-19-14-12-3-1-2-4-13(12)18-15(14)20/h1-9H,(H,18,19,20)
InChIKeyHXQNMCVMVVJLLY-UHFFFAOYSA-N
XLogP3.22
TPSA53.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.17
LogP ≤ 53.22
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

(3Z)-3-[(E)-(4-fluorophenyl)methylidenehydrazinylidene]-1H-indol-2-one
CID 135425137
3-[(4-fluorophenyl)methylidenehydrazinylidene]-1H-indol-2-one
CID 135445848
(3Z)-3-[(E)-(4-bromophenyl)methylidenehydrazinylidene]-5-chloro-1H-indol-2-one
CID 176730765
(3Z)-3-[(Z)-(4-nitrophenyl)methylidenehydrazinylidene]-1H-indol-2-one
CID 135603924
N-[4-[[(2-oxo-1H-indol-3-ylidene)hydrazinylidene]methyl]phenyl]acetamide
CID 135500421
(3Z)-3-[(4-ethoxyphenyl)methylidenehydrazinylidene]-1H-indol-2-one
CID 135823201
(3E)-3-[(Z)-(4-benzylphenyl)methylidenehydrazinylidene]-5-bromo-1H-indol-2-one
CID 135903570
(3Z)-5-bromo-3-[(Z)-pyridin-4-ylmethylidenehydrazinylidene]-1H-indol-2-one
CID 135857822
3-[(2-fluorophenyl)methylidenehydrazinylidene]-1H-indol-2-one
CID 135537355
(3E)-5-bromo-3-[(3,4-dichlorophenyl)methylidenehydrazinylidene]-1H-indol-2-one
CID 136663417
(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

Frequently Asked Questions

What is the IUPAC name of 3-[(4-bromophenyl)methylidenehydrazinylidene]-1H-indol-2-one?
The IUPAC name of 3-[(4-bromophenyl)methylidenehydrazinylidene]-1H-indol-2-one (CID 135521060) is 3-[(4-bromophenyl)methylidenehydrazinylidene]-1H-indol-2-one.
What is the SMILES notation for 3-[(4-bromophenyl)methylidenehydrazinylidene]-1H-indol-2-one?
The canonical SMILES for 3-[(4-bromophenyl)methylidenehydrazinylidene]-1H-indol-2-one is O=C1Nc2ccccc2C1=NN=Cc1ccc(Br)cc1.
What is the InChIKey of 3-[(4-bromophenyl)methylidenehydrazinylidene]-1H-indol-2-one?
The InChIKey is HXQNMCVMVVJLLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10BrN3O/c16-11-7-5-10(6-8-11)9-17-19-14-12-3-1-2-4-13(12)18-15(14)20/h1-9H,(H,18,19,20).
What are the key properties of 3-[(4-bromophenyl)methylidenehydrazinylidene]-1H-indol-2-one?
3-[(4-bromophenyl)methylidenehydrazinylidene]-1H-indol-2-one has a molecular weight of 328.17 g/mol, XLogP of 3.22, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-bromophenyl)methylidenehydrazinylidene]-1H-indol-2-one is sourced from PubChem (CID 135521060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).