5-cyclohexylspiro[1H-indole-3,4'-oxane]-2-one

C18H23NO2 — CID 91754990

IUPAC5-cyclohexylspiro[1H-indole-3,4'-oxane]-2-one
SMILESO=C1Nc2ccc(C3CCCCC3)cc2C12CCOCC2
InChIInChI=1S/C18H23NO2/c20-17-18(8-10-21-11-9-18)15-12-14(6-7-16(15)19-17)13-4-2-1-3-5-13/h6-7,12-13H,1-5,8-11H2,(H,19,20)
InChIKeyRZFQOJSXHMJDFD-UHFFFAOYSA-N
MW285.39 g/mol
LogP3.73
Rot. Bonds1

About 5-cyclohexylspiro[1H-indole-3,4'-oxane]-2-one

5-cyclohexylspiro[1H-indole-3,4'-oxane]-2-one (PubChem CID 91754990) has the molecular formula C18H23NO2 and a molecular weight of 285.39 g/mol. Its IUPAC name is 5-cyclohexylspiro[1H-indole-3,4'-oxane]-2-one.

Molecular Properties

Compound Name5-cyclohexylspiro[1H-indole-3,4'-oxane]-2-one
PubChem CID91754990
Molecular FormulaC18H23NO2
Molecular Weight285.39 g/mol
Exact Mass285.17
IUPAC Name5-cyclohexylspiro[1H-indole-3,4'-oxane]-2-one
SMILESO=C1Nc2ccc(C3CCCCC3)cc2C12CCOCC2
InChIInChI=1S/C18H23NO2/c20-17-18(8-10-21-11-9-18)15-12-14(6-7-16(15)19-17)13-4-2-1-3-5-13/h6-7,12-13H,1-5,8-11H2,(H,19,20)
InChIKeyRZFQOJSXHMJDFD-UHFFFAOYSA-N
XLogP3.73
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-cyclohexylspiro[1H-indole-3,4'-oxane]-2-one?
The IUPAC name of 5-cyclohexylspiro[1H-indole-3,4'-oxane]-2-one (CID 91754990) is 5-cyclohexylspiro[1H-indole-3,4'-oxane]-2-one.
What is the SMILES notation for 5-cyclohexylspiro[1H-indole-3,4'-oxane]-2-one?
The canonical SMILES for 5-cyclohexylspiro[1H-indole-3,4'-oxane]-2-one is O=C1Nc2ccc(C3CCCCC3)cc2C12CCOCC2.
What is the InChIKey of 5-cyclohexylspiro[1H-indole-3,4'-oxane]-2-one?
The InChIKey is RZFQOJSXHMJDFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO2/c20-17-18(8-10-21-11-9-18)15-12-14(6-7-16(15)19-17)13-4-2-1-3-5-13/h6-7,12-13H,1-5,8-11H2,(H,19,20).
What are the key properties of 5-cyclohexylspiro[1H-indole-3,4'-oxane]-2-one?
5-cyclohexylspiro[1H-indole-3,4'-oxane]-2-one has a molecular weight of 285.39 g/mol, XLogP of 3.73, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclohexylspiro[1H-indole-3,4'-oxane]-2-one is sourced from PubChem (CID 91754990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).