2-[(E)-(phenylhydrazinylidene)methyl]indol-3-one

C15H11N3O — CID 46886710

IUPAC2-[(E)-(phenylhydrazinylidene)methyl]indol-3-one
SMILESO=C1C(/C=N/Nc2ccccc2)=Nc2ccccc21
InChIInChI=1S/C15H11N3O/c19-15-12-8-4-5-9-13(12)17-14(15)10-16-18-11-6-2-1-3-7-11/h1-10,18H/b16-10+
InChIKeySWHQWIKXMWPGHY-MHWRWJLKSA-N
MW249.27 g/mol
LogP3.05
Rot. Bonds3

About 2-[(E)-(phenylhydrazinylidene)methyl]indol-3-one

2-[(E)-(phenylhydrazinylidene)methyl]indol-3-one (PubChem CID 46886710) has the molecular formula C15H11N3O and a molecular weight of 249.27 g/mol. Its IUPAC name is 2-[(E)-(phenylhydrazinylidene)methyl]indol-3-one.

Molecular Properties

Compound Name2-[(E)-(phenylhydrazinylidene)methyl]indol-3-one
PubChem CID46886710
Molecular FormulaC15H11N3O
Molecular Weight249.27 g/mol
Exact Mass249.09
IUPAC Name2-[(E)-(phenylhydrazinylidene)methyl]indol-3-one
SMILESO=C1C(/C=N/Nc2ccccc2)=Nc2ccccc21
InChIInChI=1S/C15H11N3O/c19-15-12-8-4-5-9-13(12)17-14(15)10-16-18-11-6-2-1-3-7-11/h1-10,18H/b16-10+
InChIKeySWHQWIKXMWPGHY-MHWRWJLKSA-N
XLogP3.05
TPSA53.82 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.27
LogP ≤ 53.05
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)-(phenylhydrazinylidene)methyl]indol-3-one?
The IUPAC name of 2-[(E)-(phenylhydrazinylidene)methyl]indol-3-one (CID 46886710) is 2-[(E)-(phenylhydrazinylidene)methyl]indol-3-one.
What is the SMILES notation for 2-[(E)-(phenylhydrazinylidene)methyl]indol-3-one?
The canonical SMILES for 2-[(E)-(phenylhydrazinylidene)methyl]indol-3-one is O=C1C(/C=N/Nc2ccccc2)=Nc2ccccc21.
What is the InChIKey of 2-[(E)-(phenylhydrazinylidene)methyl]indol-3-one?
The InChIKey is SWHQWIKXMWPGHY-MHWRWJLKSA-N. The full InChI is InChI=1S/C15H11N3O/c19-15-12-8-4-5-9-13(12)17-14(15)10-16-18-11-6-2-1-3-7-11/h1-10,18H/b16-10+.
What are the key properties of 2-[(E)-(phenylhydrazinylidene)methyl]indol-3-one?
2-[(E)-(phenylhydrazinylidene)methyl]indol-3-one has a molecular weight of 249.27 g/mol, XLogP of 3.05, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-(phenylhydrazinylidene)methyl]indol-3-one is sourced from PubChem (CID 46886710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).