furan-3-yl-[(1R)-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl]methanone

C15H15NO2 — CID 53194905

IUPACfuran-3-yl-[(1R)-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl]methanone
SMILESC[C@@H]1c2ccccc2CCN1C(=O)c1ccoc1
InChIInChI=1S/C15H15NO2/c1-11-14-5-3-2-4-12(14)6-8-16(11)15(17)13-7-9-18-10-13/h2-5,7,9-11H,6,8H2,1H3/t11-/m1/s1
InChIKeyDCGLAANETSONFO-LLVKDONJSA-N
MW241.29 g/mol
LogP3.04
Rot. Bonds1

About furan-3-yl-[(1R)-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl]methanone

furan-3-yl-[(1R)-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl]methanone (PubChem CID 53194905) has the molecular formula C15H15NO2 and a molecular weight of 241.29 g/mol. Its IUPAC name is furan-3-yl-[(1R)-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl]methanone.

Molecular Properties

Compound Namefuran-3-yl-[(1R)-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl]methanone
PubChem CID53194905
Molecular FormulaC15H15NO2
Molecular Weight241.29 g/mol
Exact Mass241.11
IUPAC Namefuran-3-yl-[(1R)-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl]methanone
SMILESC[C@@H]1c2ccccc2CCN1C(=O)c1ccoc1
InChIInChI=1S/C15H15NO2/c1-11-14-5-3-2-4-12(14)6-8-16(11)15(17)13-7-9-18-10-13/h2-5,7,9-11H,6,8H2,1H3/t11-/m1/s1
InChIKeyDCGLAANETSONFO-LLVKDONJSA-N
XLogP3.04
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze furan-3-yl-[(1R)-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl]methanone with MolForge

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Related Compounds

furan-2-yl-(1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 42710493
(3,4-dimethylphenyl)-(1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 59934246
[4-(aminomethyl)phenyl]-(1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 119320591
(1-amino-2-cyclopropylpyridin-1-ium-4-yl)-[(1R)-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl]methanone
CID 147262789
N-[1-(1-benzyl-3,4-dihydro-1H-isoquinolin-2-yl)-1-oxopropan-2-yl]furan-3-carboxamide
CID 75469859
sodium 1-methyl-3,4-dihydro-1H-isoquinoline-2-carbodithioate
CID 71677706
(5-cyclopropyl-6-methylpyridazin-3-yl)-[(1R)-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl]methanone
CID 146596366
furan-3-yl-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]methanone
CID 102738155
1-azabicyclo[2.2.2]octan-4-yl 1-methyl-3,4-dihydro-1H-isoquinoline-2-carboxylate
CID 54473596
(1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-[3-(2H-tetrazol-5-ylmethyl)phenyl]methanone
CID 166312922
(1R)-2-hydroxy-1-methyl-3,4-dihydro-1H-isoquinoline
CID 14951933
[4-(2,3-dihydroindol-1-yl)piperidin-1-yl]-(furan-3-yl)methanone
CID 53015005

Frequently Asked Questions

What is the IUPAC name of furan-3-yl-[(1R)-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl]methanone?
The IUPAC name of furan-3-yl-[(1R)-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl]methanone (CID 53194905) is furan-3-yl-[(1R)-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl]methanone.
What is the SMILES notation for furan-3-yl-[(1R)-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl]methanone?
The canonical SMILES for furan-3-yl-[(1R)-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl]methanone is C[C@@H]1c2ccccc2CCN1C(=O)c1ccoc1.
What is the InChIKey of furan-3-yl-[(1R)-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl]methanone?
The InChIKey is DCGLAANETSONFO-LLVKDONJSA-N. The full InChI is InChI=1S/C15H15NO2/c1-11-14-5-3-2-4-12(14)6-8-16(11)15(17)13-7-9-18-10-13/h2-5,7,9-11H,6,8H2,1H3/t11-/m1/s1.
What are the key properties of furan-3-yl-[(1R)-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl]methanone?
furan-3-yl-[(1R)-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl]methanone has a molecular weight of 241.29 g/mol, XLogP of 3.04, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for furan-3-yl-[(1R)-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl]methanone is sourced from PubChem (CID 53194905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).