1-(3-azidopropyl)indole-2,3-dione

C11H10N4O2 — CID 71540686

IUPAC1-(3-azidopropyl)indole-2,3-dione
SMILES[N-]=[N+]=NCCCN1C(=O)C(=O)c2ccccc21
InChIInChI=1S/C11H10N4O2/c12-14-13-6-3-7-15-9-5-2-1-4-8(9)10(16)11(15)17/h1-2,4-5H,3,6-7H2
InChIKeyFBEQKVUTLHJSDD-UHFFFAOYSA-N
MW230.23 g/mol
LogP1.92
Rot. Bonds4

About 1-(3-azidopropyl)indole-2,3-dione

1-(3-azidopropyl)indole-2,3-dione (PubChem CID 71540686) has the molecular formula C11H10N4O2 and a molecular weight of 230.23 g/mol. Its IUPAC name is 1-(3-azidopropyl)indole-2,3-dione.

Molecular Properties

Compound Name1-(3-azidopropyl)indole-2,3-dione
PubChem CID71540686
Molecular FormulaC11H10N4O2
Molecular Weight230.23 g/mol
Exact Mass230.08
IUPAC Name1-(3-azidopropyl)indole-2,3-dione
SMILES[N-]=[N+]=NCCCN1C(=O)C(=O)c2ccccc21
InChIInChI=1S/C11H10N4O2/c12-14-13-6-3-7-15-9-5-2-1-4-8(9)10(16)11(15)17/h1-2,4-5H,3,6-7H2
InChIKeyFBEQKVUTLHJSDD-UHFFFAOYSA-N
XLogP1.92
TPSA86.14 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.23
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(3-azidopropyl)indole-2,3-dione?
The IUPAC name of 1-(3-azidopropyl)indole-2,3-dione (CID 71540686) is 1-(3-azidopropyl)indole-2,3-dione.
What is the SMILES notation for 1-(3-azidopropyl)indole-2,3-dione?
The canonical SMILES for 1-(3-azidopropyl)indole-2,3-dione is [N-]=[N+]=NCCCN1C(=O)C(=O)c2ccccc21.
What is the InChIKey of 1-(3-azidopropyl)indole-2,3-dione?
The InChIKey is FBEQKVUTLHJSDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N4O2/c12-14-13-6-3-7-15-9-5-2-1-4-8(9)10(16)11(15)17/h1-2,4-5H,3,6-7H2.
What are the key properties of 1-(3-azidopropyl)indole-2,3-dione?
1-(3-azidopropyl)indole-2,3-dione has a molecular weight of 230.23 g/mol, XLogP of 1.92, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-azidopropyl)indole-2,3-dione is sourced from PubChem (CID 71540686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).