1,3'-dimethylspiro[indole-3,5'-oxane]-2,2'-dione

C14H15NO3 — CID 132918334

IUPAC1,3'-dimethylspiro[indole-3,5'-oxane]-2,2'-dione
SMILESCC1CC2(COC1=O)C(=O)N(C)c1ccccc12
InChIInChI=1S/C14H15NO3/c1-9-7-14(8-18-12(9)16)10-5-3-4-6-11(10)15(2)13(14)17/h3-6,9H,7-8H2,1-2H3
InChIKeyBQXDCRXMVJGQEG-UHFFFAOYSA-N
MW245.28 g/mol
LogP1.48
Rot. Bonds

About 1,3'-dimethylspiro[indole-3,5'-oxane]-2,2'-dione

1,3'-dimethylspiro[indole-3,5'-oxane]-2,2'-dione (PubChem CID 132918334) has the molecular formula C14H15NO3 and a molecular weight of 245.28 g/mol. Its IUPAC name is 1,3'-dimethylspiro[indole-3,5'-oxane]-2,2'-dione.

Molecular Properties

Compound Name1,3'-dimethylspiro[indole-3,5'-oxane]-2,2'-dione
PubChem CID132918334
Molecular FormulaC14H15NO3
Molecular Weight245.28 g/mol
Exact Mass245.11
IUPAC Name1,3'-dimethylspiro[indole-3,5'-oxane]-2,2'-dione
SMILESCC1CC2(COC1=O)C(=O)N(C)c1ccccc12
InChIInChI=1S/C14H15NO3/c1-9-7-14(8-18-12(9)16)10-5-3-4-6-11(10)15(2)13(14)17/h3-6,9H,7-8H2,1-2H3
InChIKeyBQXDCRXMVJGQEG-UHFFFAOYSA-N
XLogP1.48
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 51.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,3'-dimethylspiro[indole-3,5'-oxane]-2,2'-dione?
The IUPAC name of 1,3'-dimethylspiro[indole-3,5'-oxane]-2,2'-dione (CID 132918334) is 1,3'-dimethylspiro[indole-3,5'-oxane]-2,2'-dione.
What is the SMILES notation for 1,3'-dimethylspiro[indole-3,5'-oxane]-2,2'-dione?
The canonical SMILES for 1,3'-dimethylspiro[indole-3,5'-oxane]-2,2'-dione is CC1CC2(COC1=O)C(=O)N(C)c1ccccc12.
What is the InChIKey of 1,3'-dimethylspiro[indole-3,5'-oxane]-2,2'-dione?
The InChIKey is BQXDCRXMVJGQEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO3/c1-9-7-14(8-18-12(9)16)10-5-3-4-6-11(10)15(2)13(14)17/h3-6,9H,7-8H2,1-2H3.
What are the key properties of 1,3'-dimethylspiro[indole-3,5'-oxane]-2,2'-dione?
1,3'-dimethylspiro[indole-3,5'-oxane]-2,2'-dione has a molecular weight of 245.28 g/mol, XLogP of 1.48, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3'-dimethylspiro[indole-3,5'-oxane]-2,2'-dione is sourced from PubChem (CID 132918334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).