1-methyl-3-[(2-oxo-1,2-diphenylethylidene)hydrazinylidene]indol-2-one

C23H17N3O2 — CID 2531014

IUPAC1-methyl-3-[(2-oxo-1,2-diphenylethylidene)hydrazinylidene]indol-2-one
SMILESCN1C(=O)C(=NN=C(C(=O)c2ccccc2)c2ccccc2)c2ccccc21
InChIInChI=1S/C23H17N3O2/c1-26-19-15-9-8-14-18(19)21(23(26)28)25-24-20(16-10-4-2-5-11-16)22(27)17-12-6-3-7-13-17/h2-15H,1H3
InChIKeyYENSBYHYOZMMJC-UHFFFAOYSA-N
MW367.41 g/mol
LogP3.74
Rot. Bonds4

About 1-methyl-3-[(2-oxo-1,2-diphenylethylidene)hydrazinylidene]indol-2-one

1-methyl-3-[(2-oxo-1,2-diphenylethylidene)hydrazinylidene]indol-2-one (PubChem CID 2531014) has the molecular formula C23H17N3O2 and a molecular weight of 367.41 g/mol. Its IUPAC name is 1-methyl-3-[(2-oxo-1,2-diphenylethylidene)hydrazinylidene]indol-2-one.

Molecular Properties

Compound Name1-methyl-3-[(2-oxo-1,2-diphenylethylidene)hydrazinylidene]indol-2-one
PubChem CID2531014
Molecular FormulaC23H17N3O2
Molecular Weight367.41 g/mol
Exact Mass367.13
IUPAC Name1-methyl-3-[(2-oxo-1,2-diphenylethylidene)hydrazinylidene]indol-2-one
SMILESCN1C(=O)C(=NN=C(C(=O)c2ccccc2)c2ccccc2)c2ccccc21
InChIInChI=1S/C23H17N3O2/c1-26-19-15-9-8-14-18(19)21(23(26)28)25-24-20(16-10-4-2-5-11-16)22(27)17-12-6-3-7-13-17/h2-15H,1H3
InChIKeyYENSBYHYOZMMJC-UHFFFAOYSA-N
XLogP3.74
TPSA62.10 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.41
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'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 1-methyl-3-[(2-oxo-1,2-diphenylethylidene)hydrazinylidene]indol-2-one?
The IUPAC name of 1-methyl-3-[(2-oxo-1,2-diphenylethylidene)hydrazinylidene]indol-2-one (CID 2531014) is 1-methyl-3-[(2-oxo-1,2-diphenylethylidene)hydrazinylidene]indol-2-one.
What is the SMILES notation for 1-methyl-3-[(2-oxo-1,2-diphenylethylidene)hydrazinylidene]indol-2-one?
The canonical SMILES for 1-methyl-3-[(2-oxo-1,2-diphenylethylidene)hydrazinylidene]indol-2-one is CN1C(=O)C(=NN=C(C(=O)c2ccccc2)c2ccccc2)c2ccccc21.
What is the InChIKey of 1-methyl-3-[(2-oxo-1,2-diphenylethylidene)hydrazinylidene]indol-2-one?
The InChIKey is YENSBYHYOZMMJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17N3O2/c1-26-19-15-9-8-14-18(19)21(23(26)28)25-24-20(16-10-4-2-5-11-16)22(27)17-12-6-3-7-13-17/h2-15H,1H3.
What are the key properties of 1-methyl-3-[(2-oxo-1,2-diphenylethylidene)hydrazinylidene]indol-2-one?
1-methyl-3-[(2-oxo-1,2-diphenylethylidene)hydrazinylidene]indol-2-one has a molecular weight of 367.41 g/mol, XLogP of 3.74, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[(2-oxo-1,2-diphenylethylidene)hydrazinylidene]indol-2-one is sourced from PubChem (CID 2531014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).