(5R)-1',3-dimethylspiro[2H-1,2-oxazole-5,3'-indole]-2'-one

C12H12N2O2 — CID 123282460

IUPAC(5R)-1',3-dimethylspiro[2H-1,2-oxazole-5,3'-indole]-2'-one
SMILESCC1=C[C@]2(ON1)C(=O)N(C)c1ccccc12
InChIInChI=1S/C12H12N2O2/c1-8-7-12(16-13-8)9-5-3-4-6-10(9)14(2)11(12)15/h3-7,13H,1-2H3/t12-/m1/s1
InChIKeyGDAMWFWMIZPUNP-GFCCVEGCSA-N
MW216.24 g/mol
LogP1.30
Rot. Bonds

About (5R)-1',3-dimethylspiro[2H-1,2-oxazole-5,3'-indole]-2'-one

(5R)-1',3-dimethylspiro[2H-1,2-oxazole-5,3'-indole]-2'-one (PubChem CID 123282460) has the molecular formula C12H12N2O2 and a molecular weight of 216.24 g/mol. Its IUPAC name is (5R)-1',3-dimethylspiro[2H-1,2-oxazole-5,3'-indole]-2'-one.

Molecular Properties

Compound Name(5R)-1',3-dimethylspiro[2H-1,2-oxazole-5,3'-indole]-2'-one
PubChem CID123282460
Molecular FormulaC12H12N2O2
Molecular Weight216.24 g/mol
Exact Mass216.09
IUPAC Name(5R)-1',3-dimethylspiro[2H-1,2-oxazole-5,3'-indole]-2'-one
SMILESCC1=C[C@]2(ON1)C(=O)N(C)c1ccccc12
InChIInChI=1S/C12H12N2O2/c1-8-7-12(16-13-8)9-5-3-4-6-10(9)14(2)11(12)15/h3-7,13H,1-2H3/t12-/m1/s1
InChIKeyGDAMWFWMIZPUNP-GFCCVEGCSA-N
XLogP1.30
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.24
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (5R)-1',3-dimethylspiro[2H-1,2-oxazole-5,3'-indole]-2'-one?
The IUPAC name of (5R)-1',3-dimethylspiro[2H-1,2-oxazole-5,3'-indole]-2'-one (CID 123282460) is (5R)-1',3-dimethylspiro[2H-1,2-oxazole-5,3'-indole]-2'-one.
What is the SMILES notation for (5R)-1',3-dimethylspiro[2H-1,2-oxazole-5,3'-indole]-2'-one?
The canonical SMILES for (5R)-1',3-dimethylspiro[2H-1,2-oxazole-5,3'-indole]-2'-one is CC1=C[C@]2(ON1)C(=O)N(C)c1ccccc12.
What is the InChIKey of (5R)-1',3-dimethylspiro[2H-1,2-oxazole-5,3'-indole]-2'-one?
The InChIKey is GDAMWFWMIZPUNP-GFCCVEGCSA-N. The full InChI is InChI=1S/C12H12N2O2/c1-8-7-12(16-13-8)9-5-3-4-6-10(9)14(2)11(12)15/h3-7,13H,1-2H3/t12-/m1/s1.
What are the key properties of (5R)-1',3-dimethylspiro[2H-1,2-oxazole-5,3'-indole]-2'-one?
(5R)-1',3-dimethylspiro[2H-1,2-oxazole-5,3'-indole]-2'-one has a molecular weight of 216.24 g/mol, XLogP of 1.30, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-1',3-dimethylspiro[2H-1,2-oxazole-5,3'-indole]-2'-one is sourced from PubChem (CID 123282460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).