magnesium bis(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-id-8-olate)

C18H30MgN2O2-2 — CID 156595532

IUPACmagnesium bis(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-id-8-olate)
SMILES[Mg+2].[O-]C1CCCC2CCC[N-]C12.[O-]C1CCCC2CCC[N-]C12
InChIInChI=1S/2C9H15NO.Mg/c2*11-8-5-1-3-7-4-2-6-10-9(7)8;/h2*7-9H,1-6H2;/q2*-2;+2
InChIKeyYZJRXYCJAJTDOD-UHFFFAOYSA-N
MW330.76 g/mol
LogP1.72
Rot. Bonds

About magnesium bis(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-id-8-olate)

magnesium bis(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-id-8-olate) (PubChem CID 156595532) has the molecular formula C18H30MgN2O2-2 and a molecular weight of 330.76 g/mol. Its IUPAC name is magnesium bis(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-id-8-olate).

Molecular Properties

Compound Namemagnesium bis(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-id-8-olate)
PubChem CID156595532
Molecular FormulaC18H30MgN2O2-2
Molecular Weight330.76 g/mol
Exact Mass330.22
IUPAC Namemagnesium bis(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-id-8-olate)
SMILES[Mg+2].[O-]C1CCCC2CCC[N-]C12.[O-]C1CCCC2CCC[N-]C12
InChIInChI=1S/2C9H15NO.Mg/c2*11-8-5-1-3-7-4-2-6-10-9(7)8;/h2*7-9H,1-6H2;/q2*-2;+2
InChIKeyYZJRXYCJAJTDOD-UHFFFAOYSA-N
XLogP1.72
TPSA74.32 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.76
LogP ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze magnesium bis(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-id-8-olate) with MolForge

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Related Compounds

cesium 3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-id-8-olate
CID 59061592
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
magnesium;2-methylpiperidin-1-ide;chloride
CID 140709501
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

Frequently Asked Questions

What is the IUPAC name of magnesium bis(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-id-8-olate)?
The IUPAC name of magnesium bis(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-id-8-olate) (CID 156595532) is magnesium bis(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-id-8-olate).
What is the SMILES notation for magnesium bis(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-id-8-olate)?
The canonical SMILES for magnesium bis(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-id-8-olate) is [Mg+2].[O-]C1CCCC2CCC[N-]C12.[O-]C1CCCC2CCC[N-]C12.
What is the InChIKey of magnesium bis(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-id-8-olate)?
The InChIKey is YZJRXYCJAJTDOD-UHFFFAOYSA-N. The full InChI is InChI=1S/2C9H15NO.Mg/c2*11-8-5-1-3-7-4-2-6-10-9(7)8;/h2*7-9H,1-6H2;/q2*-2;+2.
What are the key properties of magnesium bis(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-id-8-olate)?
magnesium bis(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-id-8-olate) has a molecular weight of 330.76 g/mol, XLogP of 1.72, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium bis(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-id-8-olate) is sourced from PubChem (CID 156595532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).