(9aR)-8-(dimethylamino)-1,2,3,6,7,8,9,9a-octahydroquinolizin-4-one

C11H20N2O — CID 177476822

IUPAC(9aR)-8-(dimethylamino)-1,2,3,6,7,8,9,9a-octahydroquinolizin-4-one
SMILESCN(C)C1CCN2C(=O)CCC[C@@H]2C1
InChIInChI=1S/C11H20N2O/c1-12(2)9-6-7-13-10(8-9)4-3-5-11(13)14/h9-10H,3-8H2,1-2H3/t9?,10-/m1/s1
InChIKeyFFTSSUSHFGCTTR-QVDQXJPCSA-N
MW196.29 g/mol
LogP1.09
Rot. Bonds1

About (9aR)-8-(dimethylamino)-1,2,3,6,7,8,9,9a-octahydroquinolizin-4-one

(9aR)-8-(dimethylamino)-1,2,3,6,7,8,9,9a-octahydroquinolizin-4-one (PubChem CID 177476822) has the molecular formula C11H20N2O and a molecular weight of 196.29 g/mol. Its IUPAC name is (9aR)-8-(dimethylamino)-1,2,3,6,7,8,9,9a-octahydroquinolizin-4-one.

Molecular Properties

Compound Name(9aR)-8-(dimethylamino)-1,2,3,6,7,8,9,9a-octahydroquinolizin-4-one
PubChem CID177476822
Molecular FormulaC11H20N2O
Molecular Weight196.29 g/mol
Exact Mass196.16
IUPAC Name(9aR)-8-(dimethylamino)-1,2,3,6,7,8,9,9a-octahydroquinolizin-4-one
SMILESCN(C)C1CCN2C(=O)CCC[C@@H]2C1
InChIInChI=1S/C11H20N2O/c1-12(2)9-6-7-13-10(8-9)4-3-5-11(13)14/h9-10H,3-8H2,1-2H3/t9?,10-/m1/s1
InChIKeyFFTSSUSHFGCTTR-QVDQXJPCSA-N
XLogP1.09
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 51.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (9aR)-8-(dimethylamino)-1,2,3,6,7,8,9,9a-octahydroquinolizin-4-one with MolForge

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Related Compounds

8-methyl-1,2,3,6,7,8,9,9a-octahydroquinolizin-4-one
CID 118636069
(8R,9aS)-8-hydroxy-1,2,3,6,7,8,9,9a-octahydroquinolizin-4-one
CID 172908007
(8aR)-2,3,6,7,8,8a-hexahydro-1H-indolizin-5-one
CID 11051727
2,3,6,7,8,8a-hexahydro-1H-indolizin-5-one
CID 11789283
(10aR)-9-[(3,3-difluorocyclopentyl)-methylamino]-2,3,6,7,8,9,10,10a-octahydro-1H-pyrrolo[1,2-a]azocin-5-one
CID 178108646
1-cyclodecylpyrrolidin-2-one
CID 138507623
azane;1-cyclohexylpyrrolidin-2-one
CID 172723863
1-azabicyclo[5.5.0]dodecan-2-one
CID 11063030
(10aS)-2,3,6,7,8,9,10,10a-octahydro-1H-pyrrolo[1,2-a]azocin-5-one
CID 86313694
(7S,8aR)-7-fluoro-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one
CID 45090648
(9aS)-8-tert-butyl-1,2,3,6,7,8,9,9a-octahydropyrrolo[1,2-a]azepin-5-one
CID 135039748
(9aR)-2-butan-2-yl-3,4,7,8,9,9a-hexahydro-1H-pyrido[1,2-a]pyrazin-6-one
CID 146394692

Frequently Asked Questions

What is the IUPAC name of (9aR)-8-(dimethylamino)-1,2,3,6,7,8,9,9a-octahydroquinolizin-4-one?
The IUPAC name of (9aR)-8-(dimethylamino)-1,2,3,6,7,8,9,9a-octahydroquinolizin-4-one (CID 177476822) is (9aR)-8-(dimethylamino)-1,2,3,6,7,8,9,9a-octahydroquinolizin-4-one.
What is the SMILES notation for (9aR)-8-(dimethylamino)-1,2,3,6,7,8,9,9a-octahydroquinolizin-4-one?
The canonical SMILES for (9aR)-8-(dimethylamino)-1,2,3,6,7,8,9,9a-octahydroquinolizin-4-one is CN(C)C1CCN2C(=O)CCC[C@@H]2C1.
What is the InChIKey of (9aR)-8-(dimethylamino)-1,2,3,6,7,8,9,9a-octahydroquinolizin-4-one?
The InChIKey is FFTSSUSHFGCTTR-QVDQXJPCSA-N. The full InChI is InChI=1S/C11H20N2O/c1-12(2)9-6-7-13-10(8-9)4-3-5-11(13)14/h9-10H,3-8H2,1-2H3/t9?,10-/m1/s1.
What are the key properties of (9aR)-8-(dimethylamino)-1,2,3,6,7,8,9,9a-octahydroquinolizin-4-one?
(9aR)-8-(dimethylamino)-1,2,3,6,7,8,9,9a-octahydroquinolizin-4-one has a molecular weight of 196.29 g/mol, XLogP of 1.09, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (9aR)-8-(dimethylamino)-1,2,3,6,7,8,9,9a-octahydroquinolizin-4-one is sourced from PubChem (CID 177476822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).