(3S,5'S)-5'-methylspiro[1H-indole-3,4'-oxolane]-2,2'-dione

C12H11NO3 — CID 44820012

IUPAC(3S,5'S)-5'-methylspiro[1H-indole-3,4'-oxolane]-2,2'-dione
SMILESC[C@@H]1OC(=O)C[C@@]12C(=O)Nc1ccccc12
InChIInChI=1S/C12H11NO3/c1-7-12(6-10(14)16-7)8-4-2-3-5-9(8)13-11(12)15/h2-5,7H,6H2,1H3,(H,13,15)/t7-,12+/m0/s1
InChIKeyLQHCRFSEGFPYLD-JVXZTZIISA-N
MW217.22 g/mol
LogP1.21
Rot. Bonds

About (3S,5'S)-5'-methylspiro[1H-indole-3,4'-oxolane]-2,2'-dione

(3S,5'S)-5'-methylspiro[1H-indole-3,4'-oxolane]-2,2'-dione (PubChem CID 44820012) has the molecular formula C12H11NO3 and a molecular weight of 217.22 g/mol. Its IUPAC name is (3S,5'S)-5'-methylspiro[1H-indole-3,4'-oxolane]-2,2'-dione.

Molecular Properties

Compound Name(3S,5'S)-5'-methylspiro[1H-indole-3,4'-oxolane]-2,2'-dione
PubChem CID44820012
Molecular FormulaC12H11NO3
Molecular Weight217.22 g/mol
Exact Mass217.07
IUPAC Name(3S,5'S)-5'-methylspiro[1H-indole-3,4'-oxolane]-2,2'-dione
SMILESC[C@@H]1OC(=O)C[C@@]12C(=O)Nc1ccccc12
InChIInChI=1S/C12H11NO3/c1-7-12(6-10(14)16-7)8-4-2-3-5-9(8)13-11(12)15/h2-5,7H,6H2,1H3,(H,13,15)/t7-,12+/m0/s1
InChIKeyLQHCRFSEGFPYLD-JVXZTZIISA-N
XLogP1.21
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.22
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3S,5'S)-5'-methylspiro[1H-indole-3,4'-oxolane]-2,2'-dione?
The IUPAC name of (3S,5'S)-5'-methylspiro[1H-indole-3,4'-oxolane]-2,2'-dione (CID 44820012) is (3S,5'S)-5'-methylspiro[1H-indole-3,4'-oxolane]-2,2'-dione.
What is the SMILES notation for (3S,5'S)-5'-methylspiro[1H-indole-3,4'-oxolane]-2,2'-dione?
The canonical SMILES for (3S,5'S)-5'-methylspiro[1H-indole-3,4'-oxolane]-2,2'-dione is C[C@@H]1OC(=O)C[C@@]12C(=O)Nc1ccccc12.
What is the InChIKey of (3S,5'S)-5'-methylspiro[1H-indole-3,4'-oxolane]-2,2'-dione?
The InChIKey is LQHCRFSEGFPYLD-JVXZTZIISA-N. The full InChI is InChI=1S/C12H11NO3/c1-7-12(6-10(14)16-7)8-4-2-3-5-9(8)13-11(12)15/h2-5,7H,6H2,1H3,(H,13,15)/t7-,12+/m0/s1.
What are the key properties of (3S,5'S)-5'-methylspiro[1H-indole-3,4'-oxolane]-2,2'-dione?
(3S,5'S)-5'-methylspiro[1H-indole-3,4'-oxolane]-2,2'-dione has a molecular weight of 217.22 g/mol, XLogP of 1.21, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,5'S)-5'-methylspiro[1H-indole-3,4'-oxolane]-2,2'-dione is sourced from PubChem (CID 44820012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).