1-methyl-3'-phenylspiro[indole-3,2'-oxirane]-2-one

C16H13NO2 — CID 132514098

IUPAC1-methyl-3'-phenylspiro[indole-3,2'-oxirane]-2-one
SMILESCN1C(=O)C2(OC2c2ccccc2)c2ccccc21
InChIInChI=1S/C16H13NO2/c1-17-13-10-6-5-9-12(13)16(15(17)18)14(19-16)11-7-3-2-4-8-11/h2-10,14H,1H3
InChIKeyVPPSQAAOBXIXGI-UHFFFAOYSA-N
MW251.29 g/mol
LogP2.63
Rot. Bonds1

About 1-methyl-3'-phenylspiro[indole-3,2'-oxirane]-2-one

1-methyl-3'-phenylspiro[indole-3,2'-oxirane]-2-one (PubChem CID 132514098) has the molecular formula C16H13NO2 and a molecular weight of 251.29 g/mol. Its IUPAC name is 1-methyl-3'-phenylspiro[indole-3,2'-oxirane]-2-one.

Molecular Properties

Compound Name1-methyl-3'-phenylspiro[indole-3,2'-oxirane]-2-one
PubChem CID132514098
Molecular FormulaC16H13NO2
Molecular Weight251.29 g/mol
Exact Mass251.09
IUPAC Name1-methyl-3'-phenylspiro[indole-3,2'-oxirane]-2-one
SMILESCN1C(=O)C2(OC2c2ccccc2)c2ccccc21
InChIInChI=1S/C16H13NO2/c1-17-13-10-6-5-9-12(13)16(15(17)18)14(19-16)11-7-3-2-4-8-11/h2-10,14H,1H3
InChIKeyVPPSQAAOBXIXGI-UHFFFAOYSA-N
XLogP2.63
TPSA32.84 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 52.63
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 1-methyl-3'-phenylspiro[indole-3,2'-oxirane]-2-one?
The IUPAC name of 1-methyl-3'-phenylspiro[indole-3,2'-oxirane]-2-one (CID 132514098) is 1-methyl-3'-phenylspiro[indole-3,2'-oxirane]-2-one.
What is the SMILES notation for 1-methyl-3'-phenylspiro[indole-3,2'-oxirane]-2-one?
The canonical SMILES for 1-methyl-3'-phenylspiro[indole-3,2'-oxirane]-2-one is CN1C(=O)C2(OC2c2ccccc2)c2ccccc21.
What is the InChIKey of 1-methyl-3'-phenylspiro[indole-3,2'-oxirane]-2-one?
The InChIKey is VPPSQAAOBXIXGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13NO2/c1-17-13-10-6-5-9-12(13)16(15(17)18)14(19-16)11-7-3-2-4-8-11/h2-10,14H,1H3.
What are the key properties of 1-methyl-3'-phenylspiro[indole-3,2'-oxirane]-2-one?
1-methyl-3'-phenylspiro[indole-3,2'-oxirane]-2-one has a molecular weight of 251.29 g/mol, XLogP of 2.63, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3'-phenylspiro[indole-3,2'-oxirane]-2-one is sourced from PubChem (CID 132514098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).