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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Related Compounds

(4'R,6'S)-4'-hydroxy-4'-prop-2-enyl-6'-propylspiro[1H-indole-3,2'-oxane]-2-one
CID 118340195
(6'R)-6'-(3-chloropropyl)spiro[1H-indole-3,2'-oxane]-2,4'-dione
CID 135305780
(6'S)-6'-[2-(1,3-dioxoisoindol-2-yl)ethyl]spiro[1H-indole-3,2'-oxane]-2,4'-dione
CID 135305783
4-butylspiro[1,3-dioxane-2,3'-1H-indole]-2'-one
CID 91307632
6'-but-3-ynylspiro[1H-indole-3,2'-oxane]-2,4'-dione
CID 123642276
N-[(3R,4'S)-2-oxospiro[1H-indole-3,2'-oxane]-4'-yl]acetamide
CID 168509977
(2'S,3S)-1'-(4-hydroxycyclohexanecarbonyl)-2'-propylspiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 166618240
(2S,6S)-2,3-dimethylspiro[1,3-oxazinane-6,3'-1H-indole]-2'-one
CID 162959161
(2'S,3R)-1'-[2-(4-ethylpiperazin-1-yl)acetyl]-2'-propylspiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 166620952
(2'S,3S)-1'-(2-methylbenzoyl)-2'-propylspiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 165423546
ethane;ethyl 2-[3-(2-ethoxy-2-oxoethyl)-2-oxo-1H-indol-3-yl]acetate
CID 143412734
CID 146949857
CID 146949857

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).