cesium 3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-id-8-olate

C9H15CsNO- — CID 59061592

IUPACcesium 3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-id-8-olate
SMILES[Cs+].[O-]C1CCCC2CCC[N-]C12
InChIInChI=1S/C9H15NO.Cs/c11-8-5-1-3-7-4-2-6-10-9(7)8;/h7-9H,1-6H2;/q-2;+1
InChIKeyOPVGDMMDCFXEMO-UHFFFAOYSA-N
MW286.13 g/mol
LogP-1.94
Rot. Bonds

About cesium 3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-id-8-olate

cesium 3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-id-8-olate (PubChem CID 59061592) has the molecular formula C9H15CsNO- and a molecular weight of 286.13 g/mol. Its IUPAC name is cesium 3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-id-8-olate.

Molecular Properties

Compound Namecesium 3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-id-8-olate
PubChem CID59061592
Molecular FormulaC9H15CsNO-
Molecular Weight286.13 g/mol
Exact Mass286.02
IUPAC Namecesium 3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-id-8-olate
SMILES[Cs+].[O-]C1CCCC2CCC[N-]C12
InChIInChI=1S/C9H15NO.Cs/c11-8-5-1-3-7-4-2-6-10-9(7)8;/h7-9H,1-6H2;/q-2;+1
InChIKeyOPVGDMMDCFXEMO-UHFFFAOYSA-N
XLogP-1.94
TPSA37.16 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.13
LogP ≤ 5-1.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze cesium 3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-id-8-olate with MolForge

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Related Compounds

magnesium bis(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-id-8-olate)
CID 156595532
3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-id-8-ylazanide;dichloropalladium
CID 54604434
magnesium bis(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-ide)
CID 11033935
tricyclo[11.3.0.05,9]hexadecane
CID 154595560
1,2,3,3a,4,5,6,6a-octahydropentalene;phosphane
CID 174450452
(1R,5R)-bicyclo[3.2.0]heptane
CID 123536914
1,2,3,3a,4,5,6,7,8,9,10,10a-dodecahydrocyclopenta[9]annulene
CID 58552309
1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene;2,3,3a,4,5,6,7,7a-octahydro-1H-indene;1,2,3,3a,4,5,6,6a-octahydropentalene;cyclobutane;cycloheptane;cyclohexane;cyclooctane;cyclopentane;cyclopropane
CID 158726060
(3aR,12aR)-1,2,3,3a,4,5,6,7,8,9,10,11,12,12a-tetradecahydrocyclopenta[11]annulene
CID 14112261
3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-1-ide;2-methylpropane;uranium(2+)
CID 59783806
8-[[2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-id-8-yloxymethyl)cyclohexyl]methoxy]-2H-quinolin-1-ide;dibromocobalt
CID 5255322
bis(bicyclo[3.1.0]hexane);trihydrochloride
CID 69185190

Frequently Asked Questions

What is the IUPAC name of cesium 3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-id-8-olate?
The IUPAC name of cesium 3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-id-8-olate (CID 59061592) is cesium 3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-id-8-olate.
What is the SMILES notation for cesium 3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-id-8-olate?
The canonical SMILES for cesium 3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-id-8-olate is [Cs+].[O-]C1CCCC2CCC[N-]C12.
What is the InChIKey of cesium 3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-id-8-olate?
The InChIKey is OPVGDMMDCFXEMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO.Cs/c11-8-5-1-3-7-4-2-6-10-9(7)8;/h7-9H,1-6H2;/q-2;+1.
What are the key properties of cesium 3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-id-8-olate?
cesium 3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-id-8-olate has a molecular weight of 286.13 g/mol, XLogP of -1.94, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cesium 3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-id-8-olate is sourced from PubChem (CID 59061592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).