1-methyl-4'-(2-phenylethenyl)spiro[indole-3,5'-oxolane]-2,2'-dione

C20H17NO3 — CID 141481958

IUPAC1-methyl-4'-(2-phenylethenyl)spiro[indole-3,5'-oxolane]-2,2'-dione
SMILESCN1C(=O)C2(OC(=O)CC2C=Cc2ccccc2)c2ccccc21
InChIInChI=1S/C20H17NO3/c1-21-17-10-6-5-9-16(17)20(19(21)23)15(13-18(22)24-20)12-11-14-7-3-2-4-8-14/h2-12,15H,13H2,1H3
InChIKeyAJCREUSXYOJVMT-UHFFFAOYSA-N
MW319.36 g/mol
LogP3.13
Rot. Bonds2

About 1-methyl-4'-(2-phenylethenyl)spiro[indole-3,5'-oxolane]-2,2'-dione

1-methyl-4'-(2-phenylethenyl)spiro[indole-3,5'-oxolane]-2,2'-dione (PubChem CID 141481958) has the molecular formula C20H17NO3 and a molecular weight of 319.36 g/mol. Its IUPAC name is 1-methyl-4'-(2-phenylethenyl)spiro[indole-3,5'-oxolane]-2,2'-dione.

Molecular Properties

Compound Name1-methyl-4'-(2-phenylethenyl)spiro[indole-3,5'-oxolane]-2,2'-dione
PubChem CID141481958
Molecular FormulaC20H17NO3
Molecular Weight319.36 g/mol
Exact Mass319.12
IUPAC Name1-methyl-4'-(2-phenylethenyl)spiro[indole-3,5'-oxolane]-2,2'-dione
SMILESCN1C(=O)C2(OC(=O)CC2C=Cc2ccccc2)c2ccccc21
InChIInChI=1S/C20H17NO3/c1-21-17-10-6-5-9-16(17)20(19(21)23)15(13-18(22)24-20)12-11-14-7-3-2-4-8-14/h2-12,15H,13H2,1H3
InChIKeyAJCREUSXYOJVMT-UHFFFAOYSA-N
XLogP3.13
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.36
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4'-(2-phenylethenyl)spiro[indole-3,5'-oxolane]-2,2'-dione?
The IUPAC name of 1-methyl-4'-(2-phenylethenyl)spiro[indole-3,5'-oxolane]-2,2'-dione (CID 141481958) is 1-methyl-4'-(2-phenylethenyl)spiro[indole-3,5'-oxolane]-2,2'-dione.
What is the SMILES notation for 1-methyl-4'-(2-phenylethenyl)spiro[indole-3,5'-oxolane]-2,2'-dione?
The canonical SMILES for 1-methyl-4'-(2-phenylethenyl)spiro[indole-3,5'-oxolane]-2,2'-dione is CN1C(=O)C2(OC(=O)CC2C=Cc2ccccc2)c2ccccc21.
What is the InChIKey of 1-methyl-4'-(2-phenylethenyl)spiro[indole-3,5'-oxolane]-2,2'-dione?
The InChIKey is AJCREUSXYOJVMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17NO3/c1-21-17-10-6-5-9-16(17)20(19(21)23)15(13-18(22)24-20)12-11-14-7-3-2-4-8-14/h2-12,15H,13H2,1H3.
What are the key properties of 1-methyl-4'-(2-phenylethenyl)spiro[indole-3,5'-oxolane]-2,2'-dione?
1-methyl-4'-(2-phenylethenyl)spiro[indole-3,5'-oxolane]-2,2'-dione has a molecular weight of 319.36 g/mol, XLogP of 3.13, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4'-(2-phenylethenyl)spiro[indole-3,5'-oxolane]-2,2'-dione is sourced from PubChem (CID 141481958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).