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

C16H15N3O — CID 5331878

IUPAC(3Z)-1-methyl-3-[methyl(phenyl)hydrazinylidene]indol-2-one
SMILESCN(/N=C1\C(=O)N(C)c2ccccc21)c1ccccc1
InChIInChI=1S/C16H15N3O/c1-18-14-11-7-6-10-13(14)15(16(18)20)17-19(2)12-8-4-3-5-9-12/h3-11H,1-2H3/b17-15-
InChIKeyYEOUWTZTOBNTCU-ICFOKQHNSA-N
MW265.32 g/mol
LogP2.50
Rot. Bonds2

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

(3Z)-1-methyl-3-[methyl(phenyl)hydrazinylidene]indol-2-one (PubChem CID 5331878) has the molecular formula C16H15N3O and a molecular weight of 265.32 g/mol. Its IUPAC name is (3Z)-1-methyl-3-[methyl(phenyl)hydrazinylidene]indol-2-one.

Molecular Properties

Compound Name(3Z)-1-methyl-3-[methyl(phenyl)hydrazinylidene]indol-2-one
PubChem CID5331878
Molecular FormulaC16H15N3O
Molecular Weight265.32 g/mol
Exact Mass265.12
IUPAC Name(3Z)-1-methyl-3-[methyl(phenyl)hydrazinylidene]indol-2-one
SMILESCN(/N=C1\C(=O)N(C)c2ccccc21)c1ccccc1
InChIInChI=1S/C16H15N3O/c1-18-14-11-7-6-10-13(14)15(16(18)20)17-19(2)12-8-4-3-5-9-12/h3-11H,1-2H3/b17-15-
InChIKeyYEOUWTZTOBNTCU-ICFOKQHNSA-N
XLogP2.50
TPSA35.91 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.32
LogP ≤ 52.50
H-Bond Donors ≤ 50
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)-1-methyl-3-[methyl(phenyl)hydrazinylidene]indol-2-one?
The IUPAC name of (3Z)-1-methyl-3-[methyl(phenyl)hydrazinylidene]indol-2-one (CID 5331878) is (3Z)-1-methyl-3-[methyl(phenyl)hydrazinylidene]indol-2-one.
What is the SMILES notation for (3Z)-1-methyl-3-[methyl(phenyl)hydrazinylidene]indol-2-one?
The canonical SMILES for (3Z)-1-methyl-3-[methyl(phenyl)hydrazinylidene]indol-2-one is CN(/N=C1\C(=O)N(C)c2ccccc21)c1ccccc1.
What is the InChIKey of (3Z)-1-methyl-3-[methyl(phenyl)hydrazinylidene]indol-2-one?
The InChIKey is YEOUWTZTOBNTCU-ICFOKQHNSA-N. The full InChI is InChI=1S/C16H15N3O/c1-18-14-11-7-6-10-13(14)15(16(18)20)17-19(2)12-8-4-3-5-9-12/h3-11H,1-2H3/b17-15-.
What are the key properties of (3Z)-1-methyl-3-[methyl(phenyl)hydrazinylidene]indol-2-one?
(3Z)-1-methyl-3-[methyl(phenyl)hydrazinylidene]indol-2-one has a molecular weight of 265.32 g/mol, XLogP of 2.50, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-1-methyl-3-[methyl(phenyl)hydrazinylidene]indol-2-one is sourced from PubChem (CID 5331878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).