4-butylspiro[1,3-dioxane-2,3'-1H-indole]-2'-one

C15H19NO3 — CID 91307632

IUPAC4-butylspiro[1,3-dioxane-2,3'-1H-indole]-2'-one
SMILESCCCCC1CCOC2(O1)C(=O)Nc1ccccc12
InChIInChI=1S/C15H19NO3/c1-2-3-6-11-9-10-18-15(19-11)12-7-4-5-8-13(12)16-14(15)17/h4-5,7-8,11H,2-3,6,9-10H2,1H3,(H,16,17)
InChIKeyILWAENSBFZTOJV-UHFFFAOYSA-N
MW261.32 g/mol
LogP2.79
Rot. Bonds3

About 4-butylspiro[1,3-dioxane-2,3'-1H-indole]-2'-one

4-butylspiro[1,3-dioxane-2,3'-1H-indole]-2'-one (PubChem CID 91307632) has the molecular formula C15H19NO3 and a molecular weight of 261.32 g/mol. Its IUPAC name is 4-butylspiro[1,3-dioxane-2,3'-1H-indole]-2'-one.

Molecular Properties

Compound Name4-butylspiro[1,3-dioxane-2,3'-1H-indole]-2'-one
PubChem CID91307632
Molecular FormulaC15H19NO3
Molecular Weight261.32 g/mol
Exact Mass261.14
IUPAC Name4-butylspiro[1,3-dioxane-2,3'-1H-indole]-2'-one
SMILESCCCCC1CCOC2(O1)C(=O)Nc1ccccc12
InChIInChI=1S/C15H19NO3/c1-2-3-6-11-9-10-18-15(19-11)12-7-4-5-8-13(12)16-14(15)17/h4-5,7-8,11H,2-3,6,9-10H2,1H3,(H,16,17)
InChIKeyILWAENSBFZTOJV-UHFFFAOYSA-N
XLogP2.79
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(phenoxymethyl)spiro[1,3-dioxolane-2,3'-1H-indole]-2'-one
CID 17368605
4'-hydroxy-6'-propylspiro[1H-indole-3,2'-oxane]-2-one
CID 123548047
(2R)-4-ethyl-5'-(piperidine-1-carbonyl)spiro[1,3-dioxane-2,3'-1H-indole]-2'-one
CID 91349956
(2R)-4-(2-fluoroethyl)-2'-oxospiro[1,3-dioxane-2,3'-1H-indole]-5-carboxylic acid
CID 91042294
3-butyl-3-hydroxy-1H-indol-2-one
CID 15744776
1,3-dimethyl-7-[[(2R,4S)-2'-oxospiro[1,3-dioxolane-2,3'-1H-indole]-4-yl]methyl]purine-2,6-dione
CID 92513753
(6'R)-6'-(3-chloropropyl)spiro[1H-indole-3,2'-oxane]-2,4'-dione
CID 135305780
3-ethyl-3-propan-2-yl-1H-indol-2-one
CID 45094674
3-hydroxy-3-octyl-1H-indol-2-one
CID 83036797
9,9-dibutyl-10H-acridine
CID 22754314
6'-pentylspiro[1H-indole-3,7'-6H-furo[2,3-f][1,3]benzodioxole]-2-one
CID 90345180
(4'R,6'S)-4'-hydroxy-4'-prop-2-enyl-6'-propylspiro[1H-indole-3,2'-oxane]-2-one
CID 118340195

Frequently Asked Questions

What is the IUPAC name of 4-butylspiro[1,3-dioxane-2,3'-1H-indole]-2'-one?
The IUPAC name of 4-butylspiro[1,3-dioxane-2,3'-1H-indole]-2'-one (CID 91307632) is 4-butylspiro[1,3-dioxane-2,3'-1H-indole]-2'-one.
What is the SMILES notation for 4-butylspiro[1,3-dioxane-2,3'-1H-indole]-2'-one?
The canonical SMILES for 4-butylspiro[1,3-dioxane-2,3'-1H-indole]-2'-one is CCCCC1CCOC2(O1)C(=O)Nc1ccccc12.
What is the InChIKey of 4-butylspiro[1,3-dioxane-2,3'-1H-indole]-2'-one?
The InChIKey is ILWAENSBFZTOJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO3/c1-2-3-6-11-9-10-18-15(19-11)12-7-4-5-8-13(12)16-14(15)17/h4-5,7-8,11H,2-3,6,9-10H2,1H3,(H,16,17).
What are the key properties of 4-butylspiro[1,3-dioxane-2,3'-1H-indole]-2'-one?
4-butylspiro[1,3-dioxane-2,3'-1H-indole]-2'-one has a molecular weight of 261.32 g/mol, XLogP of 2.79, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butylspiro[1,3-dioxane-2,3'-1H-indole]-2'-one is sourced from PubChem (CID 91307632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).