7-fluoro-1-methylspiro[indole-3,2'-oxirane]-2-one

C10H8FNO2 — CID 132603447

IUPAC7-fluoro-1-methylspiro[indole-3,2'-oxirane]-2-one
SMILESCN1C(=O)C2(CO2)c2cccc(F)c21
InChIInChI=1S/C10H8FNO2/c1-12-8-6(3-2-4-7(8)11)10(5-14-10)9(12)13/h2-4H,5H2,1H3
InChIKeyOXKNLYGUEAMTCC-UHFFFAOYSA-N
MW193.18 g/mol
LogP1.03
Rot. Bonds

About 7-fluoro-1-methylspiro[indole-3,2'-oxirane]-2-one

7-fluoro-1-methylspiro[indole-3,2'-oxirane]-2-one (PubChem CID 132603447) has the molecular formula C10H8FNO2 and a molecular weight of 193.18 g/mol. Its IUPAC name is 7-fluoro-1-methylspiro[indole-3,2'-oxirane]-2-one.

Molecular Properties

Compound Name7-fluoro-1-methylspiro[indole-3,2'-oxirane]-2-one
PubChem CID132603447
Molecular FormulaC10H8FNO2
Molecular Weight193.18 g/mol
Exact Mass193.05
IUPAC Name7-fluoro-1-methylspiro[indole-3,2'-oxirane]-2-one
SMILESCN1C(=O)C2(CO2)c2cccc(F)c21
InChIInChI=1S/C10H8FNO2/c1-12-8-6(3-2-4-7(8)11)10(5-14-10)9(12)13/h2-4H,5H2,1H3
InChIKeyOXKNLYGUEAMTCC-UHFFFAOYSA-N
XLogP1.03
TPSA32.84 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.18
LogP ≤ 51.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-fluoro-1-methylspiro[indole-3,2'-oxirane]-2-one?
The IUPAC name of 7-fluoro-1-methylspiro[indole-3,2'-oxirane]-2-one (CID 132603447) is 7-fluoro-1-methylspiro[indole-3,2'-oxirane]-2-one.
What is the SMILES notation for 7-fluoro-1-methylspiro[indole-3,2'-oxirane]-2-one?
The canonical SMILES for 7-fluoro-1-methylspiro[indole-3,2'-oxirane]-2-one is CN1C(=O)C2(CO2)c2cccc(F)c21.
What is the InChIKey of 7-fluoro-1-methylspiro[indole-3,2'-oxirane]-2-one?
The InChIKey is OXKNLYGUEAMTCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8FNO2/c1-12-8-6(3-2-4-7(8)11)10(5-14-10)9(12)13/h2-4H,5H2,1H3.
What are the key properties of 7-fluoro-1-methylspiro[indole-3,2'-oxirane]-2-one?
7-fluoro-1-methylspiro[indole-3,2'-oxirane]-2-one has a molecular weight of 193.18 g/mol, XLogP of 1.03, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-1-methylspiro[indole-3,2'-oxirane]-2-one is sourced from PubChem (CID 132603447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).