3-hydroxy-3-(6-oxaspiro[4.5]decan-9-yl)-1H-indol-2-one

C17H21NO3 — CID 83035071

IUPAC3-hydroxy-3-(6-oxaspiro[4.5]decan-9-yl)-1H-indol-2-one
SMILESO=C1Nc2ccccc2C1(O)C1CCOC2(CCCC2)C1
InChIInChI=1S/C17H21NO3/c19-15-17(20,13-5-1-2-6-14(13)18-15)12-7-10-21-16(11-12)8-3-4-9-16/h1-2,5-6,12,20H,3-4,7-11H2,(H,18,19)
InChIKeyMHKQDFGTIIMQFK-UHFFFAOYSA-N
MW287.36 g/mol
LogP2.57
Rot. Bonds1

About 3-hydroxy-3-(6-oxaspiro[4.5]decan-9-yl)-1H-indol-2-one

3-hydroxy-3-(6-oxaspiro[4.5]decan-9-yl)-1H-indol-2-one (PubChem CID 83035071) has the molecular formula C17H21NO3 and a molecular weight of 287.36 g/mol. Its IUPAC name is 3-hydroxy-3-(6-oxaspiro[4.5]decan-9-yl)-1H-indol-2-one.

Molecular Properties

Compound Name3-hydroxy-3-(6-oxaspiro[4.5]decan-9-yl)-1H-indol-2-one
PubChem CID83035071
Molecular FormulaC17H21NO3
Molecular Weight287.36 g/mol
Exact Mass287.15
IUPAC Name3-hydroxy-3-(6-oxaspiro[4.5]decan-9-yl)-1H-indol-2-one
SMILESO=C1Nc2ccccc2C1(O)C1CCOC2(CCCC2)C1
InChIInChI=1S/C17H21NO3/c19-15-17(20,13-5-1-2-6-14(13)18-15)12-7-10-21-16(11-12)8-3-4-9-16/h1-2,5-6,12,20H,3-4,7-11H2,(H,18,19)
InChIKeyMHKQDFGTIIMQFK-UHFFFAOYSA-N
XLogP2.57
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(6-oxaspiro[4.5]decan-9-yl)-3,4-dihydro-2H-naphthalen-1-ol
CID 79899726
(3R)-3-hydroxy-3-[(1R)-2-oxocycloheptyl]-1H-indol-2-one
CID 678131
1-(1-oxaspiro[5.5]undecan-4-yl)-2,3-dihydroinden-1-amine
CID 79907765
1-(1-oxaspiro[5.5]undecan-4-yl)cyclohexan-1-ol
CID 79900915
3-hydroxy-3-pyrrolidin-2-yl-1H-indol-2-one
CID 83034122
2-(1-oxaspiro[5.5]undecan-4-yl)-1,2,3,4-tetrahydroquinoline
CID 79906700
1-(6-oxaspiro[4.5]decan-9-yl)cyclobutan-1-ol
CID 79912854
1-(1-oxaspiro[5.5]undecan-4-yl)-2-oxocyclohexane-1-carboxylic acid
CID 103575080
1-(6-oxaspiro[4.5]decan-9-yl)cyclooctane-1-carboxylic acid
CID 80610980
N-[(3R,4'S)-2-oxospiro[1H-indole-3,2'-oxane]-4'-yl]acetamide
CID 168509977
3-methyl-3-(1-oxaspiro[5.5]undecan-4-yl)cyclopentan-1-one
CID 116538544
2-(5-oxaspiro[3.5]nonan-8-yl)-1,3-dihydroinden-2-amine
CID 79912864

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-3-(6-oxaspiro[4.5]decan-9-yl)-1H-indol-2-one?
The IUPAC name of 3-hydroxy-3-(6-oxaspiro[4.5]decan-9-yl)-1H-indol-2-one (CID 83035071) is 3-hydroxy-3-(6-oxaspiro[4.5]decan-9-yl)-1H-indol-2-one.
What is the SMILES notation for 3-hydroxy-3-(6-oxaspiro[4.5]decan-9-yl)-1H-indol-2-one?
The canonical SMILES for 3-hydroxy-3-(6-oxaspiro[4.5]decan-9-yl)-1H-indol-2-one is O=C1Nc2ccccc2C1(O)C1CCOC2(CCCC2)C1.
What is the InChIKey of 3-hydroxy-3-(6-oxaspiro[4.5]decan-9-yl)-1H-indol-2-one?
The InChIKey is MHKQDFGTIIMQFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO3/c19-15-17(20,13-5-1-2-6-14(13)18-15)12-7-10-21-16(11-12)8-3-4-9-16/h1-2,5-6,12,20H,3-4,7-11H2,(H,18,19).
What are the key properties of 3-hydroxy-3-(6-oxaspiro[4.5]decan-9-yl)-1H-indol-2-one?
3-hydroxy-3-(6-oxaspiro[4.5]decan-9-yl)-1H-indol-2-one has a molecular weight of 287.36 g/mol, XLogP of 2.57, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-3-(6-oxaspiro[4.5]decan-9-yl)-1H-indol-2-one is sourced from PubChem (CID 83035071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).