6-tert-butylspiro[1H-indole-3,4'-oxane]-2-one

C16H21NO2 — CID 168764435

IUPAC6-tert-butylspiro[1H-indole-3,4'-oxane]-2-one
SMILESCC(C)(C)c1ccc2c(c1)NC(=O)C21CCOCC1
InChIInChI=1S/C16H21NO2/c1-15(2,3)11-4-5-12-13(10-11)17-14(18)16(12)6-8-19-9-7-16/h4-5,10H,6-9H2,1-3H3,(H,17,18)
InChIKeyIGFGSWDCGDEZQH-UHFFFAOYSA-N
MW259.35 g/mol
LogP2.98
Rot. Bonds

About 6-tert-butylspiro[1H-indole-3,4'-oxane]-2-one

6-tert-butylspiro[1H-indole-3,4'-oxane]-2-one (PubChem CID 168764435) has the molecular formula C16H21NO2 and a molecular weight of 259.35 g/mol. Its IUPAC name is 6-tert-butylspiro[1H-indole-3,4'-oxane]-2-one.

Molecular Properties

Compound Name6-tert-butylspiro[1H-indole-3,4'-oxane]-2-one
PubChem CID168764435
Molecular FormulaC16H21NO2
Molecular Weight259.35 g/mol
Exact Mass259.16
IUPAC Name6-tert-butylspiro[1H-indole-3,4'-oxane]-2-one
SMILESCC(C)(C)c1ccc2c(c1)NC(=O)C21CCOCC1
InChIInChI=1S/C16H21NO2/c1-15(2,3)11-4-5-12-13(10-11)17-14(18)16(12)6-8-19-9-7-16/h4-5,10H,6-9H2,1-3H3,(H,17,18)
InChIKeyIGFGSWDCGDEZQH-UHFFFAOYSA-N
XLogP2.98
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-tert-butylspiro[1H-indole-3,4'-oxane]-2-one?
The IUPAC name of 6-tert-butylspiro[1H-indole-3,4'-oxane]-2-one (CID 168764435) is 6-tert-butylspiro[1H-indole-3,4'-oxane]-2-one.
What is the SMILES notation for 6-tert-butylspiro[1H-indole-3,4'-oxane]-2-one?
The canonical SMILES for 6-tert-butylspiro[1H-indole-3,4'-oxane]-2-one is CC(C)(C)c1ccc2c(c1)NC(=O)C21CCOCC1.
What is the InChIKey of 6-tert-butylspiro[1H-indole-3,4'-oxane]-2-one?
The InChIKey is IGFGSWDCGDEZQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO2/c1-15(2,3)11-4-5-12-13(10-11)17-14(18)16(12)6-8-19-9-7-16/h4-5,10H,6-9H2,1-3H3,(H,17,18).
What are the key properties of 6-tert-butylspiro[1H-indole-3,4'-oxane]-2-one?
6-tert-butylspiro[1H-indole-3,4'-oxane]-2-one has a molecular weight of 259.35 g/mol, XLogP of 2.98, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butylspiro[1H-indole-3,4'-oxane]-2-one is sourced from PubChem (CID 168764435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).