1-[(8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]ethanone

C11H19NO — CID 68573047

IUPAC1-[(8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]ethanone
SMILESCC(=O)N1CCCC2CCCC[C@H]21
InChIInChI=1S/C11H19NO/c1-9(13)12-8-4-6-10-5-2-3-7-11(10)12/h10-11H,2-8H2,1H3/t10?,11-/m1/s1
InChIKeyISGKWYUBDFRQKA-RRKGBCIJSA-N
MW181.28 g/mol
LogP2.19
Rot. Bonds

About 1-[(8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]ethanone

1-[(8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]ethanone (PubChem CID 68573047) has the molecular formula C11H19NO and a molecular weight of 181.28 g/mol. Its IUPAC name is 1-[(8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]ethanone.

Molecular Properties

Compound Name1-[(8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]ethanone
PubChem CID68573047
Molecular FormulaC11H19NO
Molecular Weight181.28 g/mol
Exact Mass181.15
IUPAC Name1-[(8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]ethanone
SMILESCC(=O)N1CCCC2CCCC[C@H]21
InChIInChI=1S/C11H19NO/c1-9(13)12-8-4-6-10-5-2-3-7-11(10)12/h10-11H,2-8H2,1H3/t10?,11-/m1/s1
InChIKeyISGKWYUBDFRQKA-RRKGBCIJSA-N
XLogP2.19
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1-[(8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]ethanone with MolForge

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Related Compounds

N,N-dimethyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carboxamide
CID 115575763
1,4-bis(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)butane-1,4-dione
CID 66795041
1-(2-cyclohexylpyrrolidin-1-yl)-2,2-dimethylpropan-1-one
CID 64593206
1-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-3-methylbut-2-en-1-one
CID 130160646
1-(2-cyclohexylpyrrolidin-1-yl)-2-methylpropan-1-one
CID 61063339
cyclobutyl-(2-cyclopentylpyrrolidin-1-yl)methanone
CID 110871989
1-[4-[(2S)-2-cyclopentylpyrrolidine-1-carbonyl]phenyl]ethanone
CID 95334900
1-[3-(1-acetylpiperidin-2-yl)piperidin-1-yl]-2,2,2-trifluoroethanone
CID 126835765
2-amino-1-(2-cyclohexylpyrrolidin-1-yl)ethanone
CID 60946954
1-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-2,2-difluoroethanone
CID 103515401
(2S)-2-amino-1-(2-cyclopentylpyrrolidin-1-yl)propan-1-one;hydrochloride
CID 119300932
3-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-2-methyl-3-oxopropanoic acid
CID 114897399

Frequently Asked Questions

What is the IUPAC name of 1-[(8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]ethanone?
The IUPAC name of 1-[(8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]ethanone (CID 68573047) is 1-[(8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]ethanone.
What is the SMILES notation for 1-[(8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]ethanone?
The canonical SMILES for 1-[(8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]ethanone is CC(=O)N1CCCC2CCCC[C@H]21.
What is the InChIKey of 1-[(8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]ethanone?
The InChIKey is ISGKWYUBDFRQKA-RRKGBCIJSA-N. The full InChI is InChI=1S/C11H19NO/c1-9(13)12-8-4-6-10-5-2-3-7-11(10)12/h10-11H,2-8H2,1H3/t10?,11-/m1/s1.
What are the key properties of 1-[(8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]ethanone?
1-[(8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]ethanone has a molecular weight of 181.28 g/mol, XLogP of 2.19, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]ethanone is sourced from PubChem (CID 68573047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).