1,3',3'-trimethylspiro[indole-3,2'-oxirane]-2-one

C12H13NO2 — CID 102309588

IUPAC1,3',3'-trimethylspiro[indole-3,2'-oxirane]-2-one
SMILESCN1C(=O)C2(OC2(C)C)c2ccccc21
InChIInChI=1S/C12H13NO2/c1-11(2)12(15-11)8-6-4-5-7-9(8)13(3)10(12)14/h4-7H,1-3H3
InChIKeyQUYGFNSRLIDDOF-UHFFFAOYSA-N
MW203.24 g/mol
LogP1.67
Rot. Bonds

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

1,3',3'-trimethylspiro[indole-3,2'-oxirane]-2-one (PubChem CID 102309588) has the molecular formula C12H13NO2 and a molecular weight of 203.24 g/mol. Its IUPAC name is 1,3',3'-trimethylspiro[indole-3,2'-oxirane]-2-one.

Molecular Properties

Compound Name1,3',3'-trimethylspiro[indole-3,2'-oxirane]-2-one
PubChem CID102309588
Molecular FormulaC12H13NO2
Molecular Weight203.24 g/mol
Exact Mass203.09
IUPAC Name1,3',3'-trimethylspiro[indole-3,2'-oxirane]-2-one
SMILESCN1C(=O)C2(OC2(C)C)c2ccccc21
InChIInChI=1S/C12H13NO2/c1-11(2)12(15-11)8-6-4-5-7-9(8)13(3)10(12)14/h4-7H,1-3H3
InChIKeyQUYGFNSRLIDDOF-UHFFFAOYSA-N
XLogP1.67
TPSA32.84 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.24
LogP ≤ 51.67
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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Related Compounds

1,3,3,4,4-pentamethylquinolin-2-one
CID 57425073
(3R)-3-hydroxy-1,3-dimethylindol-2-one
CID 102086681
9,9,10-trimethylacridine
CID 610451
3-ethyl-1,3-dimethylindol-2-one
CID 14449303
1,4,4-trimethyl-3,1-benzoxazin-2-one
CID 30633
1'-methylspiro[cyclopropane-1,3'-indole]-2'-one
CID 14317864
3-acetyl-1,3-dimethylindol-2-one
CID 71513470
3-anilino-1,3-dimethylindol-2-one
CID 71527226
2-(1,3-dimethyl-2-oxoindol-3-yl)acetaldehyde
CID 11183300
(3S)-1,3-dimethyl-3-phenylsulfanylindol-2-one
CID 139037177
1'-methylspiro[2-benzofuran-3,3'-indole]-1,2'-dione
CID 177386662
CID 59909654
CID 59909654

Frequently Asked Questions

What is the IUPAC name of 1,3',3'-trimethylspiro[indole-3,2'-oxirane]-2-one?
The IUPAC name of 1,3',3'-trimethylspiro[indole-3,2'-oxirane]-2-one (CID 102309588) is 1,3',3'-trimethylspiro[indole-3,2'-oxirane]-2-one.
What is the SMILES notation for 1,3',3'-trimethylspiro[indole-3,2'-oxirane]-2-one?
The canonical SMILES for 1,3',3'-trimethylspiro[indole-3,2'-oxirane]-2-one is CN1C(=O)C2(OC2(C)C)c2ccccc21.
What is the InChIKey of 1,3',3'-trimethylspiro[indole-3,2'-oxirane]-2-one?
The InChIKey is QUYGFNSRLIDDOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO2/c1-11(2)12(15-11)8-6-4-5-7-9(8)13(3)10(12)14/h4-7H,1-3H3.
What are the key properties of 1,3',3'-trimethylspiro[indole-3,2'-oxirane]-2-one?
1,3',3'-trimethylspiro[indole-3,2'-oxirane]-2-one has a molecular weight of 203.24 g/mol, XLogP of 1.67, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3',3'-trimethylspiro[indole-3,2'-oxirane]-2-one is sourced from PubChem (CID 102309588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).