4'-hydroxy-6'-propylspiro[1H-indole-3,2'-oxane]-2-one

C15H19NO3 — CID 123548047

IUPAC4'-hydroxy-6'-propylspiro[1H-indole-3,2'-oxane]-2-one
SMILESCCCC1CC(O)CC2(O1)C(=O)Nc1ccccc12
InChIInChI=1S/C15H19NO3/c1-2-5-11-8-10(17)9-15(19-11)12-6-3-4-7-13(12)16-14(15)18/h3-4,6-7,10-11,17H,2,5,8-9H2,1H3,(H,16,18)
InChIKeyIFNMAHILDZXMOC-UHFFFAOYSA-N
MW261.32 g/mol
LogP2.17
Rot. Bonds2

About 4'-hydroxy-6'-propylspiro[1H-indole-3,2'-oxane]-2-one

4'-hydroxy-6'-propylspiro[1H-indole-3,2'-oxane]-2-one (PubChem CID 123548047) has the molecular formula C15H19NO3 and a molecular weight of 261.32 g/mol. Its IUPAC name is 4'-hydroxy-6'-propylspiro[1H-indole-3,2'-oxane]-2-one.

Molecular Properties

Compound Name4'-hydroxy-6'-propylspiro[1H-indole-3,2'-oxane]-2-one
PubChem CID123548047
Molecular FormulaC15H19NO3
Molecular Weight261.32 g/mol
Exact Mass261.14
IUPAC Name4'-hydroxy-6'-propylspiro[1H-indole-3,2'-oxane]-2-one
SMILESCCCC1CC(O)CC2(O1)C(=O)Nc1ccccc12
InChIInChI=1S/C15H19NO3/c1-2-5-11-8-10(17)9-15(19-11)12-6-3-4-7-13(12)16-14(15)18/h3-4,6-7,10-11,17H,2,5,8-9H2,1H3,(H,16,18)
InChIKeyIFNMAHILDZXMOC-UHFFFAOYSA-N
XLogP2.17
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4'-hydroxy-6'-propylspiro[1H-indole-3,2'-oxane]-2-one?
The IUPAC name of 4'-hydroxy-6'-propylspiro[1H-indole-3,2'-oxane]-2-one (CID 123548047) is 4'-hydroxy-6'-propylspiro[1H-indole-3,2'-oxane]-2-one.
What is the SMILES notation for 4'-hydroxy-6'-propylspiro[1H-indole-3,2'-oxane]-2-one?
The canonical SMILES for 4'-hydroxy-6'-propylspiro[1H-indole-3,2'-oxane]-2-one is CCCC1CC(O)CC2(O1)C(=O)Nc1ccccc12.
What is the InChIKey of 4'-hydroxy-6'-propylspiro[1H-indole-3,2'-oxane]-2-one?
The InChIKey is IFNMAHILDZXMOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO3/c1-2-5-11-8-10(17)9-15(19-11)12-6-3-4-7-13(12)16-14(15)18/h3-4,6-7,10-11,17H,2,5,8-9H2,1H3,(H,16,18).
What are the key properties of 4'-hydroxy-6'-propylspiro[1H-indole-3,2'-oxane]-2-one?
4'-hydroxy-6'-propylspiro[1H-indole-3,2'-oxane]-2-one has a molecular weight of 261.32 g/mol, XLogP of 2.17, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4'-hydroxy-6'-propylspiro[1H-indole-3,2'-oxane]-2-one is sourced from PubChem (CID 123548047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).