3-hydroxy-6-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-1-methyl-3H-indol-2-one

C16H20N2O3 — CID 81302367

IUPAC3-hydroxy-6-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-1-methyl-3H-indol-2-one
SMILESCN1C(=O)C(O)c2ccc(N3C4CCC3CC(O)C4)cc21
InChIInChI=1S/C16H20N2O3/c1-17-14-8-11(4-5-13(14)15(20)16(17)21)18-9-2-3-10(18)7-12(19)6-9/h4-5,8-10,12,15,19-20H,2-3,6-7H2,1H3
InChIKeyYXDGODOOFXIIOZ-UHFFFAOYSA-N
MW288.35 g/mol
LogP1.19
Rot. Bonds1

About 3-hydroxy-6-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-1-methyl-3H-indol-2-one

3-hydroxy-6-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-1-methyl-3H-indol-2-one (PubChem CID 81302367) has the molecular formula C16H20N2O3 and a molecular weight of 288.35 g/mol. Its IUPAC name is 3-hydroxy-6-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-1-methyl-3H-indol-2-one.

Molecular Properties

Compound Name3-hydroxy-6-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-1-methyl-3H-indol-2-one
PubChem CID81302367
Molecular FormulaC16H20N2O3
Molecular Weight288.35 g/mol
Exact Mass288.15
IUPAC Name3-hydroxy-6-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-1-methyl-3H-indol-2-one
SMILESCN1C(=O)C(O)c2ccc(N3C4CCC3CC(O)C4)cc21
InChIInChI=1S/C16H20N2O3/c1-17-14-8-11(4-5-13(14)15(20)16(17)21)18-9-2-3-10(18)7-12(19)6-9/h4-5,8-10,12,15,19-20H,2-3,6-7H2,1H3
InChIKeyYXDGODOOFXIIOZ-UHFFFAOYSA-N
XLogP1.19
TPSA64.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}

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Related Compounds

3-hydroxy-1-methyl-2,3-dihydro-1H-indol-2-one
CID 11084207
5-[(1S,2S)-2-(4-Benzyl-piperidin-1-yl)-1-hydroxy-propyl]-1,3-dihydro-indol-2-one
CID 9929020
5-[(1R,2S)-2-(4-Benzyl-piperidin-1-yl)-1-hydroxy-propyl]-1,3-dihydro-indol-2-one
CID 44384451
1-benzyl-3-hydroxy-3H-indol-2-one
CID 57333507
1-Ethyl-3-hydroxy-2-oxindole
CID 13905871
(2S)-2-hydroxy-1-[(2S)-2-(methoxymethyl)-2,3-dihydroindol-1-yl]-2-phenylethanone
CID 10447338
(r)-Cyanomethyl-3-hydroxyoxindole
CID 129844470
(3R)-3-hydroxy-1-methyl-3H-indol-2-one
CID 820545
3-Hydroxy-1-(propan-2-yl)-1,3-dihydro-2H-indol-2-one
CID 14475485
Cyanomethyl-3-hydroxyoxindole
CID 129730745
6-[(3-Fluorophenyl)methyl-methylamino]-3-hydroxy-1,3-dihydroindol-2-one
CID 43586663
6-[Ethyl(2,2,2-trifluoroethyl)amino]-3-hydroxy-1,3-dihydroindol-2-one
CID 55010486

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-6-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-1-methyl-3H-indol-2-one?
The IUPAC name of 3-hydroxy-6-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-1-methyl-3H-indol-2-one (CID 81302367) is 3-hydroxy-6-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-1-methyl-3H-indol-2-one.
What is the SMILES notation for 3-hydroxy-6-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-1-methyl-3H-indol-2-one?
The canonical SMILES for 3-hydroxy-6-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-1-methyl-3H-indol-2-one is CN1C(=O)C(O)c2ccc(N3C4CCC3CC(O)C4)cc21.
What is the InChIKey of 3-hydroxy-6-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-1-methyl-3H-indol-2-one?
The InChIKey is YXDGODOOFXIIOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O3/c1-17-14-8-11(4-5-13(14)15(20)16(17)21)18-9-2-3-10(18)7-12(19)6-9/h4-5,8-10,12,15,19-20H,2-3,6-7H2,1H3.
What are the key properties of 3-hydroxy-6-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-1-methyl-3H-indol-2-one?
3-hydroxy-6-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-1-methyl-3H-indol-2-one has a molecular weight of 288.35 g/mol, XLogP of 1.19, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-6-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-1-methyl-3H-indol-2-one is sourced from PubChem (CID 81302367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).