2,3,3a,4,5,6,7,7a-octahydro-1H-indol-2-yl(5-oxaspiro[3.5]nonan-8-yl)methanone

C17H27NO2 — CID 116549168

IUPAC2,3,3a,4,5,6,7,7a-octahydro-1H-indol-2-yl(5-oxaspiro[3.5]nonan-8-yl)methanone
SMILESO=C(C1CCOC2(CCC2)C1)C1CC2CCCCC2N1
InChIInChI=1S/C17H27NO2/c19-16(13-6-9-20-17(11-13)7-3-8-17)15-10-12-4-1-2-5-14(12)18-15/h12-15,18H,1-11H2
InChIKeyJEPMOHPCQCSEFN-UHFFFAOYSA-N
MW277.41 g/mol
LogP2.83
Rot. Bonds2

About 2,3,3a,4,5,6,7,7a-octahydro-1H-indol-2-yl(5-oxaspiro[3.5]nonan-8-yl)methanone

2,3,3a,4,5,6,7,7a-octahydro-1H-indol-2-yl(5-oxaspiro[3.5]nonan-8-yl)methanone (PubChem CID 116549168) has the molecular formula C17H27NO2 and a molecular weight of 277.41 g/mol. Its IUPAC name is 2,3,3a,4,5,6,7,7a-octahydro-1H-indol-2-yl(5-oxaspiro[3.5]nonan-8-yl)methanone.

Molecular Properties

Compound Name2,3,3a,4,5,6,7,7a-octahydro-1H-indol-2-yl(5-oxaspiro[3.5]nonan-8-yl)methanone
PubChem CID116549168
Molecular FormulaC17H27NO2
Molecular Weight277.41 g/mol
Exact Mass277.20
IUPAC Name2,3,3a,4,5,6,7,7a-octahydro-1H-indol-2-yl(5-oxaspiro[3.5]nonan-8-yl)methanone
SMILESO=C(C1CCOC2(CCC2)C1)C1CC2CCCCC2N1
InChIInChI=1S/C17H27NO2/c19-16(13-6-9-20-17(11-13)7-3-8-17)15-10-12-4-1-2-5-14(12)18-15/h12-15,18H,1-11H2
InChIKeyJEPMOHPCQCSEFN-UHFFFAOYSA-N
XLogP2.83
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,3,3a,4,5,6,7,7a-octahydro-1H-indol-2-yl(2,6-dioxaspiro[4.5]decan-9-yl)methanone
CID 116549239
cyclopentyl(6-oxaspiro[4.5]decan-9-yl)methanone
CID 79913745
(4-methoxypyrrolidin-2-yl)-(5-oxaspiro[3.5]nonan-8-yl)methanone
CID 116560515
(3,3-difluorocyclopentyl)-(5-oxaspiro[3.5]nonan-8-yl)methanone
CID 114215606
2,3,3a,4,5,6,7,7a-octahydro-1H-indol-2-yl-(3,4-dimethylcyclohexyl)methanone
CID 116549198
1-(2,3,3a,4,5,6,7,7a-octahydro-1H-indol-2-yl)prop-2-yn-1-one
CID 116549262
6-oxaspiro[4.5]decan-9-yl-(2,2,3,3-tetramethylcyclopropyl)methanone
CID 115787700
(3-amino-2-bicyclo[2.2.1]heptanyl)-(6-oxaspiro[4.5]decan-9-yl)methanone
CID 116580741
(2,2-dimethylcyclopropyl)-(1-oxaspiro[5.5]undecan-4-yl)methanone
CID 107003969
6-azaspiro[2.5]octan-2-yl(6-oxaspiro[4.5]decan-9-yl)methanone
CID 116573069
1-oxaspiro[5.5]undecane-4-carboxylic acid
CID 79904011
2-methyl-1-(5-oxaspiro[3.5]nonan-8-yl)prop-2-en-1-one
CID 103446328

Frequently Asked Questions

What is the IUPAC name of 2,3,3a,4,5,6,7,7a-octahydro-1H-indol-2-yl(5-oxaspiro[3.5]nonan-8-yl)methanone?
The IUPAC name of 2,3,3a,4,5,6,7,7a-octahydro-1H-indol-2-yl(5-oxaspiro[3.5]nonan-8-yl)methanone (CID 116549168) is 2,3,3a,4,5,6,7,7a-octahydro-1H-indol-2-yl(5-oxaspiro[3.5]nonan-8-yl)methanone.
What is the SMILES notation for 2,3,3a,4,5,6,7,7a-octahydro-1H-indol-2-yl(5-oxaspiro[3.5]nonan-8-yl)methanone?
The canonical SMILES for 2,3,3a,4,5,6,7,7a-octahydro-1H-indol-2-yl(5-oxaspiro[3.5]nonan-8-yl)methanone is O=C(C1CCOC2(CCC2)C1)C1CC2CCCCC2N1.
What is the InChIKey of 2,3,3a,4,5,6,7,7a-octahydro-1H-indol-2-yl(5-oxaspiro[3.5]nonan-8-yl)methanone?
The InChIKey is JEPMOHPCQCSEFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO2/c19-16(13-6-9-20-17(11-13)7-3-8-17)15-10-12-4-1-2-5-14(12)18-15/h12-15,18H,1-11H2.
What are the key properties of 2,3,3a,4,5,6,7,7a-octahydro-1H-indol-2-yl(5-oxaspiro[3.5]nonan-8-yl)methanone?
2,3,3a,4,5,6,7,7a-octahydro-1H-indol-2-yl(5-oxaspiro[3.5]nonan-8-yl)methanone has a molecular weight of 277.41 g/mol, XLogP of 2.83, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,3a,4,5,6,7,7a-octahydro-1H-indol-2-yl(5-oxaspiro[3.5]nonan-8-yl)methanone is sourced from PubChem (CID 116549168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).