3-azido-3-benzyl-1H-indol-2-one

C15H12N4O — CID 170607134

IUPAC3-azido-3-benzyl-1H-indol-2-one
SMILES[N-]=[N+]=NC1(Cc2ccccc2)C(=O)Nc2ccccc21
InChIInChI=1S/C15H12N4O/c16-19-18-15(10-11-6-2-1-3-7-11)12-8-4-5-9-13(12)17-14(15)20/h1-9H,10H2,(H,17,20)
InChIKeyAMKKJOMFLPDUMI-UHFFFAOYSA-N
MW264.29 g/mol
LogP3.39
Rot. Bonds3

About 3-azido-3-benzyl-1H-indol-2-one

3-azido-3-benzyl-1H-indol-2-one (PubChem CID 170607134) has the molecular formula C15H12N4O and a molecular weight of 264.29 g/mol. Its IUPAC name is 3-azido-3-benzyl-1H-indol-2-one.

Molecular Properties

Compound Name3-azido-3-benzyl-1H-indol-2-one
PubChem CID170607134
Molecular FormulaC15H12N4O
Molecular Weight264.29 g/mol
Exact Mass264.10
IUPAC Name3-azido-3-benzyl-1H-indol-2-one
SMILES[N-]=[N+]=NC1(Cc2ccccc2)C(=O)Nc2ccccc21
InChIInChI=1S/C15H12N4O/c16-19-18-15(10-11-6-2-1-3-7-11)12-8-4-5-9-13(12)17-14(15)20/h1-9H,10H2,(H,17,20)
InChIKeyAMKKJOMFLPDUMI-UHFFFAOYSA-N
XLogP3.39
TPSA77.86 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.29
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-azido-3-benzyl-1H-indol-2-one?
The IUPAC name of 3-azido-3-benzyl-1H-indol-2-one (CID 170607134) is 3-azido-3-benzyl-1H-indol-2-one.
What is the SMILES notation for 3-azido-3-benzyl-1H-indol-2-one?
The canonical SMILES for 3-azido-3-benzyl-1H-indol-2-one is [N-]=[N+]=NC1(Cc2ccccc2)C(=O)Nc2ccccc21.
What is the InChIKey of 3-azido-3-benzyl-1H-indol-2-one?
The InChIKey is AMKKJOMFLPDUMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N4O/c16-19-18-15(10-11-6-2-1-3-7-11)12-8-4-5-9-13(12)17-14(15)20/h1-9H,10H2,(H,17,20).
What are the key properties of 3-azido-3-benzyl-1H-indol-2-one?
3-azido-3-benzyl-1H-indol-2-one has a molecular weight of 264.29 g/mol, XLogP of 3.39, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-azido-3-benzyl-1H-indol-2-one is sourced from PubChem (CID 170607134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).