2'-(azidomethyl)spiro[1H-indole-3,4'-oxolane]-2-one

C12H12N4O2 — CID 135325163

IUPAC2'-(azidomethyl)spiro[1H-indole-3,4'-oxolane]-2-one
SMILES[N-]=[N+]=NCC1CC2(CO1)C(=O)Nc1ccccc12
InChIInChI=1S/C12H12N4O2/c13-16-14-6-8-5-12(7-18-8)9-3-1-2-4-10(9)15-11(12)17/h1-4,8H,5-7H2,(H,15,17)
InChIKeyLCPXMBBWHPULJZ-UHFFFAOYSA-N
MW244.25 g/mol
LogP1.98
Rot. Bonds2

About 2'-(azidomethyl)spiro[1H-indole-3,4'-oxolane]-2-one

2'-(azidomethyl)spiro[1H-indole-3,4'-oxolane]-2-one (PubChem CID 135325163) has the molecular formula C12H12N4O2 and a molecular weight of 244.25 g/mol. Its IUPAC name is 2'-(azidomethyl)spiro[1H-indole-3,4'-oxolane]-2-one.

Molecular Properties

Compound Name2'-(azidomethyl)spiro[1H-indole-3,4'-oxolane]-2-one
PubChem CID135325163
Molecular FormulaC12H12N4O2
Molecular Weight244.25 g/mol
Exact Mass244.10
IUPAC Name2'-(azidomethyl)spiro[1H-indole-3,4'-oxolane]-2-one
SMILES[N-]=[N+]=NCC1CC2(CO1)C(=O)Nc1ccccc12
InChIInChI=1S/C12H12N4O2/c13-16-14-6-8-5-12(7-18-8)9-3-1-2-4-10(9)15-11(12)17/h1-4,8H,5-7H2,(H,15,17)
InChIKeyLCPXMBBWHPULJZ-UHFFFAOYSA-N
XLogP1.98
TPSA87.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.25
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 2'-(azidomethyl)spiro[1H-indole-3,4'-oxolane]-2-one?
The IUPAC name of 2'-(azidomethyl)spiro[1H-indole-3,4'-oxolane]-2-one (CID 135325163) is 2'-(azidomethyl)spiro[1H-indole-3,4'-oxolane]-2-one.
What is the SMILES notation for 2'-(azidomethyl)spiro[1H-indole-3,4'-oxolane]-2-one?
The canonical SMILES for 2'-(azidomethyl)spiro[1H-indole-3,4'-oxolane]-2-one is [N-]=[N+]=NCC1CC2(CO1)C(=O)Nc1ccccc12.
What is the InChIKey of 2'-(azidomethyl)spiro[1H-indole-3,4'-oxolane]-2-one?
The InChIKey is LCPXMBBWHPULJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N4O2/c13-16-14-6-8-5-12(7-18-8)9-3-1-2-4-10(9)15-11(12)17/h1-4,8H,5-7H2,(H,15,17).
What are the key properties of 2'-(azidomethyl)spiro[1H-indole-3,4'-oxolane]-2-one?
2'-(azidomethyl)spiro[1H-indole-3,4'-oxolane]-2-one has a molecular weight of 244.25 g/mol, XLogP of 1.98, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2'-(azidomethyl)spiro[1H-indole-3,4'-oxolane]-2-one is sourced from PubChem (CID 135325163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).