2'-ethyl-5,7-dimethylspiro[1H-indole-3,4'-oxane]-2-one

C16H21NO2 — CID 106702080

IUPAC2'-ethyl-5,7-dimethylspiro[1H-indole-3,4'-oxane]-2-one
SMILESCCC1CC2(CCO1)C(=O)Nc1c(C)cc(C)cc12
InChIInChI=1S/C16H21NO2/c1-4-12-9-16(5-6-19-12)13-8-10(2)7-11(3)14(13)17-15(16)18/h7-8,12H,4-6,9H2,1-3H3,(H,17,18)
InChIKeyNHBHZMKAOWZDEF-UHFFFAOYSA-N
MW259.35 g/mol
LogP3.08
Rot. Bonds1

About 2'-ethyl-5,7-dimethylspiro[1H-indole-3,4'-oxane]-2-one

2'-ethyl-5,7-dimethylspiro[1H-indole-3,4'-oxane]-2-one (PubChem CID 106702080) has the molecular formula C16H21NO2 and a molecular weight of 259.35 g/mol. Its IUPAC name is 2'-ethyl-5,7-dimethylspiro[1H-indole-3,4'-oxane]-2-one.

Molecular Properties

Compound Name2'-ethyl-5,7-dimethylspiro[1H-indole-3,4'-oxane]-2-one
PubChem CID106702080
Molecular FormulaC16H21NO2
Molecular Weight259.35 g/mol
Exact Mass259.16
IUPAC Name2'-ethyl-5,7-dimethylspiro[1H-indole-3,4'-oxane]-2-one
SMILESCCC1CC2(CCO1)C(=O)Nc1c(C)cc(C)cc12
InChIInChI=1S/C16H21NO2/c1-4-12-9-16(5-6-19-12)13-8-10(2)7-11(3)14(13)17-15(16)18/h7-8,12H,4-6,9H2,1-3H3,(H,17,18)
InChIKeyNHBHZMKAOWZDEF-UHFFFAOYSA-N
XLogP3.08
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2'-ethyl-5,7-dimethylspiro[1H-indole-3,4'-oxane]-2-one?
The IUPAC name of 2'-ethyl-5,7-dimethylspiro[1H-indole-3,4'-oxane]-2-one (CID 106702080) is 2'-ethyl-5,7-dimethylspiro[1H-indole-3,4'-oxane]-2-one.
What is the SMILES notation for 2'-ethyl-5,7-dimethylspiro[1H-indole-3,4'-oxane]-2-one?
The canonical SMILES for 2'-ethyl-5,7-dimethylspiro[1H-indole-3,4'-oxane]-2-one is CCC1CC2(CCO1)C(=O)Nc1c(C)cc(C)cc12.
What is the InChIKey of 2'-ethyl-5,7-dimethylspiro[1H-indole-3,4'-oxane]-2-one?
The InChIKey is NHBHZMKAOWZDEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO2/c1-4-12-9-16(5-6-19-12)13-8-10(2)7-11(3)14(13)17-15(16)18/h7-8,12H,4-6,9H2,1-3H3,(H,17,18).
What are the key properties of 2'-ethyl-5,7-dimethylspiro[1H-indole-3,4'-oxane]-2-one?
2'-ethyl-5,7-dimethylspiro[1H-indole-3,4'-oxane]-2-one has a molecular weight of 259.35 g/mol, XLogP of 3.08, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2'-ethyl-5,7-dimethylspiro[1H-indole-3,4'-oxane]-2-one is sourced from PubChem (CID 106702080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).