3'-benzoyl-1-benzylspiro[indole-3,2'-oxirane]-2-one

C23H17NO3 — CID 102233839

IUPAC3'-benzoyl-1-benzylspiro[indole-3,2'-oxirane]-2-one
SMILESO=C(c1ccccc1)C1OC12C(=O)N(Cc1ccccc1)c1ccccc12
InChIInChI=1S/C23H17NO3/c25-20(17-11-5-2-6-12-17)21-23(27-21)18-13-7-8-14-19(18)24(22(23)26)15-16-9-3-1-4-10-16/h1-14,21H,15H2
InChIKeyXHTSSOOHJSSFPY-UHFFFAOYSA-N
MW355.39 g/mol
LogP3.71
Rot. Bonds4

About 3'-benzoyl-1-benzylspiro[indole-3,2'-oxirane]-2-one

3'-benzoyl-1-benzylspiro[indole-3,2'-oxirane]-2-one (PubChem CID 102233839) has the molecular formula C23H17NO3 and a molecular weight of 355.39 g/mol. Its IUPAC name is 3'-benzoyl-1-benzylspiro[indole-3,2'-oxirane]-2-one.

Molecular Properties

Compound Name3'-benzoyl-1-benzylspiro[indole-3,2'-oxirane]-2-one
PubChem CID102233839
Molecular FormulaC23H17NO3
Molecular Weight355.39 g/mol
Exact Mass355.12
IUPAC Name3'-benzoyl-1-benzylspiro[indole-3,2'-oxirane]-2-one
SMILESO=C(c1ccccc1)C1OC12C(=O)N(Cc1ccccc1)c1ccccc12
InChIInChI=1S/C23H17NO3/c25-20(17-11-5-2-6-12-17)21-23(27-21)18-13-7-8-14-19(18)24(22(23)26)15-16-9-3-1-4-10-16/h1-14,21H,15H2
InChIKeyXHTSSOOHJSSFPY-UHFFFAOYSA-N
XLogP3.71
TPSA49.91 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.39
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 3'-benzoyl-1-benzylspiro[indole-3,2'-oxirane]-2-one?
The IUPAC name of 3'-benzoyl-1-benzylspiro[indole-3,2'-oxirane]-2-one (CID 102233839) is 3'-benzoyl-1-benzylspiro[indole-3,2'-oxirane]-2-one.
What is the SMILES notation for 3'-benzoyl-1-benzylspiro[indole-3,2'-oxirane]-2-one?
The canonical SMILES for 3'-benzoyl-1-benzylspiro[indole-3,2'-oxirane]-2-one is O=C(c1ccccc1)C1OC12C(=O)N(Cc1ccccc1)c1ccccc12.
What is the InChIKey of 3'-benzoyl-1-benzylspiro[indole-3,2'-oxirane]-2-one?
The InChIKey is XHTSSOOHJSSFPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17NO3/c25-20(17-11-5-2-6-12-17)21-23(27-21)18-13-7-8-14-19(18)24(22(23)26)15-16-9-3-1-4-10-16/h1-14,21H,15H2.
What are the key properties of 3'-benzoyl-1-benzylspiro[indole-3,2'-oxirane]-2-one?
3'-benzoyl-1-benzylspiro[indole-3,2'-oxirane]-2-one has a molecular weight of 355.39 g/mol, XLogP of 3.71, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3'-benzoyl-1-benzylspiro[indole-3,2'-oxirane]-2-one is sourced from PubChem (CID 102233839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).