1'-(5-azidopentyl)-5'-fluorospiro[1,3-dioxolane-2,3'-indole]-2'-one

C15H17FN4O3 — CID 86579189

IUPAC1'-(5-azidopentyl)-5'-fluorospiro[1,3-dioxolane-2,3'-indole]-2'-one
SMILES[N-]=[N+]=NCCCCCN1C(=O)C2(OCCO2)c2cc(F)ccc21
InChIInChI=1S/C15H17FN4O3/c16-11-4-5-13-12(10-11)15(22-8-9-23-15)14(21)20(13)7-3-1-2-6-18-19-17/h4-5,10H,1-3,6-9H2
InChIKeyXNPDJRZUFNMRQA-UHFFFAOYSA-N
MW320.32 g/mol
LogP2.85
Rot. Bonds6

About 1'-(5-azidopentyl)-5'-fluorospiro[1,3-dioxolane-2,3'-indole]-2'-one

1'-(5-azidopentyl)-5'-fluorospiro[1,3-dioxolane-2,3'-indole]-2'-one (PubChem CID 86579189) has the molecular formula C15H17FN4O3 and a molecular weight of 320.32 g/mol. Its IUPAC name is 1'-(5-azidopentyl)-5'-fluorospiro[1,3-dioxolane-2,3'-indole]-2'-one.

Molecular Properties

Compound Name1'-(5-azidopentyl)-5'-fluorospiro[1,3-dioxolane-2,3'-indole]-2'-one
PubChem CID86579189
Molecular FormulaC15H17FN4O3
Molecular Weight320.32 g/mol
Exact Mass320.13
IUPAC Name1'-(5-azidopentyl)-5'-fluorospiro[1,3-dioxolane-2,3'-indole]-2'-one
SMILES[N-]=[N+]=NCCCCCN1C(=O)C2(OCCO2)c2cc(F)ccc21
InChIInChI=1S/C15H17FN4O3/c16-11-4-5-13-12(10-11)15(22-8-9-23-15)14(21)20(13)7-3-1-2-6-18-19-17/h4-5,10H,1-3,6-9H2
InChIKeyXNPDJRZUFNMRQA-UHFFFAOYSA-N
XLogP2.85
TPSA87.53 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.32
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1'-(5-azidopentyl)-5'-fluorospiro[1,3-dioxolane-2,3'-indole]-2'-one?
The IUPAC name of 1'-(5-azidopentyl)-5'-fluorospiro[1,3-dioxolane-2,3'-indole]-2'-one (CID 86579189) is 1'-(5-azidopentyl)-5'-fluorospiro[1,3-dioxolane-2,3'-indole]-2'-one.
What is the SMILES notation for 1'-(5-azidopentyl)-5'-fluorospiro[1,3-dioxolane-2,3'-indole]-2'-one?
The canonical SMILES for 1'-(5-azidopentyl)-5'-fluorospiro[1,3-dioxolane-2,3'-indole]-2'-one is [N-]=[N+]=NCCCCCN1C(=O)C2(OCCO2)c2cc(F)ccc21.
What is the InChIKey of 1'-(5-azidopentyl)-5'-fluorospiro[1,3-dioxolane-2,3'-indole]-2'-one?
The InChIKey is XNPDJRZUFNMRQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN4O3/c16-11-4-5-13-12(10-11)15(22-8-9-23-15)14(21)20(13)7-3-1-2-6-18-19-17/h4-5,10H,1-3,6-9H2.
What are the key properties of 1'-(5-azidopentyl)-5'-fluorospiro[1,3-dioxolane-2,3'-indole]-2'-one?
1'-(5-azidopentyl)-5'-fluorospiro[1,3-dioxolane-2,3'-indole]-2'-one has a molecular weight of 320.32 g/mol, XLogP of 2.85, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-(5-azidopentyl)-5'-fluorospiro[1,3-dioxolane-2,3'-indole]-2'-one is sourced from PubChem (CID 86579189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).