(2R,4aR,8aS)-2-methyl-2,3,4a,5,6,7,8,8a-octahydro-1H-quinolin-4-one

C10H17NO — CID 7074849

IUPAC(2R,4aR,8aS)-2-methyl-2,3,4a,5,6,7,8,8a-octahydro-1H-quinolin-4-one
SMILESC[C@@H]1CC(=O)[C@@H]2CCCC[C@@H]2N1
InChIInChI=1S/C10H17NO/c1-7-6-10(12)8-4-2-3-5-9(8)11-7/h7-9,11H,2-6H2,1H3/t7-,8-,9+/m1/s1
InChIKeySEAPKWHFVCCJBB-HLTSFMKQSA-N
MW167.25 g/mol
LogP1.50
Rot. Bonds

About (2R,4aR,8aS)-2-methyl-2,3,4a,5,6,7,8,8a-octahydro-1H-quinolin-4-one

(2R,4aR,8aS)-2-methyl-2,3,4a,5,6,7,8,8a-octahydro-1H-quinolin-4-one (PubChem CID 7074849) has the molecular formula C10H17NO and a molecular weight of 167.25 g/mol. Its IUPAC name is (2R,4aR,8aS)-2-methyl-2,3,4a,5,6,7,8,8a-octahydro-1H-quinolin-4-one.

Molecular Properties

Compound Name(2R,4aR,8aS)-2-methyl-2,3,4a,5,6,7,8,8a-octahydro-1H-quinolin-4-one
PubChem CID7074849
Molecular FormulaC10H17NO
Molecular Weight167.25 g/mol
Exact Mass167.13
IUPAC Name(2R,4aR,8aS)-2-methyl-2,3,4a,5,6,7,8,8a-octahydro-1H-quinolin-4-one
SMILESC[C@@H]1CC(=O)[C@@H]2CCCC[C@@H]2N1
InChIInChI=1S/C10H17NO/c1-7-6-10(12)8-4-2-3-5-9(8)11-7/h7-9,11H,2-6H2,1H3/t7-,8-,9+/m1/s1
InChIKeySEAPKWHFVCCJBB-HLTSFMKQSA-N
XLogP1.50
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.25
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (2R,4aR,8aS)-2-methyl-2,3,4a,5,6,7,8,8a-octahydro-1H-quinolin-4-one with MolForge

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Related Compounds

2-methyl-1,2,3,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridin-4-one
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CID 116685230
3-hydroxy-2-methyl-2,3,4a,5,6,7,8,8a-octahydro-1H-quinolin-4-one
CID 130136372
8-azatetracyclo[7.5.0.02,7.012,14]tetradecan-11-one
CID 173144513
2,3,4a,5,6,7,8,8a-octahydro-1H-cinnolin-4-one
CID 130136554
(1R,4R,9R,12R,17R,20R)-2,10,18-triazatetracyclo[18.4.0.04,9.012,17]tetracosane-3,11,19-trione
CID 11646502
(4S)-4-[(1S)-2-oxocyclooctyl]azetidin-2-one
CID 10932352
(2S,4aR,8aS)-2-methyl-2,3,4a,5,6,7,8,8a-octahydro-1H-quinolin-1-ium-4-one
CID 11860579
2,6-dimethylpiperidin-4-one
CID 11040712
(11S)-11-methyl-9,12-diazabicyclo[6.5.0]tridecane-10,13-dione
CID 101377557
(4S)-4-[(1R)-2-oxocyclopentyl]azetidin-2-one
CID 93233730
(4R)-4-[(1S)-2-oxocyclopentyl]azetidin-2-one
CID 93233733

Frequently Asked Questions

What is the IUPAC name of (2R,4aR,8aS)-2-methyl-2,3,4a,5,6,7,8,8a-octahydro-1H-quinolin-4-one?
The IUPAC name of (2R,4aR,8aS)-2-methyl-2,3,4a,5,6,7,8,8a-octahydro-1H-quinolin-4-one (CID 7074849) is (2R,4aR,8aS)-2-methyl-2,3,4a,5,6,7,8,8a-octahydro-1H-quinolin-4-one.
What is the SMILES notation for (2R,4aR,8aS)-2-methyl-2,3,4a,5,6,7,8,8a-octahydro-1H-quinolin-4-one?
The canonical SMILES for (2R,4aR,8aS)-2-methyl-2,3,4a,5,6,7,8,8a-octahydro-1H-quinolin-4-one is C[C@@H]1CC(=O)[C@@H]2CCCC[C@@H]2N1.
What is the InChIKey of (2R,4aR,8aS)-2-methyl-2,3,4a,5,6,7,8,8a-octahydro-1H-quinolin-4-one?
The InChIKey is SEAPKWHFVCCJBB-HLTSFMKQSA-N. The full InChI is InChI=1S/C10H17NO/c1-7-6-10(12)8-4-2-3-5-9(8)11-7/h7-9,11H,2-6H2,1H3/t7-,8-,9+/m1/s1.
What are the key properties of (2R,4aR,8aS)-2-methyl-2,3,4a,5,6,7,8,8a-octahydro-1H-quinolin-4-one?
(2R,4aR,8aS)-2-methyl-2,3,4a,5,6,7,8,8a-octahydro-1H-quinolin-4-one has a molecular weight of 167.25 g/mol, XLogP of 1.50, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4aR,8aS)-2-methyl-2,3,4a,5,6,7,8,8a-octahydro-1H-quinolin-4-one is sourced from PubChem (CID 7074849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).