2-[(E)-[(4-methylphenyl)hydrazinylidene]methyl]indol-3-one

C16H13N3O — CID 46886711

IUPAC2-[(E)-[(4-methylphenyl)hydrazinylidene]methyl]indol-3-one
SMILESCc1ccc(N/N=C/C2=Nc3ccccc3C2=O)cc1
InChIInChI=1S/C16H13N3O/c1-11-6-8-12(9-7-11)19-17-10-15-16(20)13-4-2-3-5-14(13)18-15/h2-10,19H,1H3/b17-10+
InChIKeyQVTZSLFITNKLCH-LICLKQGHSA-N
MW263.30 g/mol
LogP3.36
Rot. Bonds3

About 2-[(E)-[(4-methylphenyl)hydrazinylidene]methyl]indol-3-one

2-[(E)-[(4-methylphenyl)hydrazinylidene]methyl]indol-3-one (PubChem CID 46886711) has the molecular formula C16H13N3O and a molecular weight of 263.30 g/mol. Its IUPAC name is 2-[(E)-[(4-methylphenyl)hydrazinylidene]methyl]indol-3-one.

Molecular Properties

Compound Name2-[(E)-[(4-methylphenyl)hydrazinylidene]methyl]indol-3-one
PubChem CID46886711
Molecular FormulaC16H13N3O
Molecular Weight263.30 g/mol
Exact Mass263.11
IUPAC Name2-[(E)-[(4-methylphenyl)hydrazinylidene]methyl]indol-3-one
SMILESCc1ccc(N/N=C/C2=Nc3ccccc3C2=O)cc1
InChIInChI=1S/C16H13N3O/c1-11-6-8-12(9-7-11)19-17-10-15-16(20)13-4-2-3-5-14(13)18-15/h2-10,19H,1H3/b17-10+
InChIKeyQVTZSLFITNKLCH-LICLKQGHSA-N
XLogP3.36
TPSA53.82 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'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 2-[(E)-[(4-methylphenyl)hydrazinylidene]methyl]indol-3-one?
The IUPAC name of 2-[(E)-[(4-methylphenyl)hydrazinylidene]methyl]indol-3-one (CID 46886711) is 2-[(E)-[(4-methylphenyl)hydrazinylidene]methyl]indol-3-one.
What is the SMILES notation for 2-[(E)-[(4-methylphenyl)hydrazinylidene]methyl]indol-3-one?
The canonical SMILES for 2-[(E)-[(4-methylphenyl)hydrazinylidene]methyl]indol-3-one is Cc1ccc(N/N=C/C2=Nc3ccccc3C2=O)cc1.
What is the InChIKey of 2-[(E)-[(4-methylphenyl)hydrazinylidene]methyl]indol-3-one?
The InChIKey is QVTZSLFITNKLCH-LICLKQGHSA-N. The full InChI is InChI=1S/C16H13N3O/c1-11-6-8-12(9-7-11)19-17-10-15-16(20)13-4-2-3-5-14(13)18-15/h2-10,19H,1H3/b17-10+.
What are the key properties of 2-[(E)-[(4-methylphenyl)hydrazinylidene]methyl]indol-3-one?
2-[(E)-[(4-methylphenyl)hydrazinylidene]methyl]indol-3-one has a molecular weight of 263.30 g/mol, XLogP of 3.36, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-[(4-methylphenyl)hydrazinylidene]methyl]indol-3-one is sourced from PubChem (CID 46886711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).