1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-2-yl(furan-2-yl)methanone

C14H19NO2 — CID 116586098

IUPAC1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-2-yl(furan-2-yl)methanone
SMILESO=C(c1ccco1)C1CCC2CCCCC2N1
InChIInChI=1S/C14H19NO2/c16-14(13-6-3-9-17-13)12-8-7-10-4-1-2-5-11(10)15-12/h3,6,9-12,15H,1-2,4-5,7-8H2
InChIKeyAXJMGATWKXHJDU-UHFFFAOYSA-N
MW233.31 g/mol
LogP2.77
Rot. Bonds2

About 1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-2-yl(furan-2-yl)methanone

1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-2-yl(furan-2-yl)methanone (PubChem CID 116586098) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is 1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-2-yl(furan-2-yl)methanone.

Molecular Properties

Compound Name1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-2-yl(furan-2-yl)methanone
PubChem CID116586098
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC Name1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-2-yl(furan-2-yl)methanone
SMILESO=C(c1ccco1)C1CCC2CCCCC2N1
InChIInChI=1S/C14H19NO2/c16-14(13-6-3-9-17-13)12-8-7-10-4-1-2-5-11(10)15-12/h3,6,9-12,15H,1-2,4-5,7-8H2
InChIKeyAXJMGATWKXHJDU-UHFFFAOYSA-N
XLogP2.77
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-2-yl(furan-2-yl)methanone with MolForge

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Related Compounds

2,3,3a,4,5,6,7,7a-octahydro-1H-indol-2-yl(furan-2-yl)methanone
CID 116549349
1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-2-yl(1-benzofuran-2-yl)methanone
CID 114736885
N-[(1S)-1-(furan-2-yl)ethyl]-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-2-carboxamide
CID 81399681
1-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-2-yl)-2-phenylethanone
CID 116585916
N-[1-(furan-2-carbonyl)piperidin-4-yl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide
CID 119277089
furan-2-yl-[2-(trifluoromethyl)cyclohexyl]methanone
CID 105099254
furan-2-yl(1,2,3,4-tetrahydropyridin-2-yl)methanone
CID 141122677
1-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-2-yl)-2-(4-fluorophenyl)ethanone
CID 116585974
N-methyl-N-phenyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-2-carboxamide
CID 66470763
N-(4-bromophenyl)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-2-carboxamide
CID 66471768
1-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-2-yl)-2-(4-iodophenyl)ethanone
CID 116586076
N-(2-methylpyrazol-3-yl)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-2-carboxamide
CID 66469787

Frequently Asked Questions

What is the IUPAC name of 1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-2-yl(furan-2-yl)methanone?
The IUPAC name of 1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-2-yl(furan-2-yl)methanone (CID 116586098) is 1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-2-yl(furan-2-yl)methanone.
What is the SMILES notation for 1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-2-yl(furan-2-yl)methanone?
The canonical SMILES for 1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-2-yl(furan-2-yl)methanone is O=C(c1ccco1)C1CCC2CCCCC2N1.
What is the InChIKey of 1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-2-yl(furan-2-yl)methanone?
The InChIKey is AXJMGATWKXHJDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2/c16-14(13-6-3-9-17-13)12-8-7-10-4-1-2-5-11(10)15-12/h3,6,9-12,15H,1-2,4-5,7-8H2.
What are the key properties of 1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-2-yl(furan-2-yl)methanone?
1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-2-yl(furan-2-yl)methanone has a molecular weight of 233.31 g/mol, XLogP of 2.77, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-2-yl(furan-2-yl)methanone is sourced from PubChem (CID 116586098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).