1-(furan-2-yl)-3,4-dihydroisoquinoline

C13H11NO — CID 873979

IUPAC1-(furan-2-yl)-3,4-dihydroisoquinoline
SMILESc1coc(C2=NCCc3ccccc32)c1
InChIInChI=1S/C13H11NO/c1-2-5-11-10(4-1)7-8-14-13(11)12-6-3-9-15-12/h1-6,9H,7-8H2
InChIKeyFPFBTNSNJKDVAR-UHFFFAOYSA-N
MW197.24 g/mol
LogP2.67
Rot. Bonds1

About 1-(furan-2-yl)-3,4-dihydroisoquinoline

1-(furan-2-yl)-3,4-dihydroisoquinoline (PubChem CID 873979) has the molecular formula C13H11NO and a molecular weight of 197.24 g/mol. Its IUPAC name is 1-(furan-2-yl)-3,4-dihydroisoquinoline.

Molecular Properties

Compound Name1-(furan-2-yl)-3,4-dihydroisoquinoline
PubChem CID873979
Molecular FormulaC13H11NO
Molecular Weight197.24 g/mol
Exact Mass197.08
IUPAC Name1-(furan-2-yl)-3,4-dihydroisoquinoline
SMILESc1coc(C2=NCCc3ccccc32)c1
InChIInChI=1S/C13H11NO/c1-2-5-11-10(4-1)7-8-14-13(11)12-6-3-9-15-12/h1-6,9H,7-8H2
InChIKeyFPFBTNSNJKDVAR-UHFFFAOYSA-N
XLogP2.67
TPSA25.50 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.24
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(6-Pentoxy-3,4-dihydroisoquinolin-1-yl)-phenylmethanone
CID 9973373
3-Furan-2-yl-3,4-dihydro-isoquinolin-1-ylamine
CID 11075828
1-(2-Furyl)-3,4-dihydroisoquinoline hydrochloride
CID 2870925
[6-(3-Methylbut-2-enoxy)-3,4-dihydroisoquinolin-1-yl]-phenylmethanone
CID 11012614
[6-(2-Methylpropoxy)-3,4-dihydroisoquinolin-1-yl]-phenylmethanone
CID 10881363
[6-[(E)-but-2-enoxy]-3,4-dihydroisoquinolin-1-yl]-phenylmethanone
CID 11808912
2-Benzoylfuran oxime
CID 5837094
N-[(E)-2-Furylmethylidene]-2-phenylethanamine
CID 572635
2-(2-Furanyl)-3,4,5,6-tetrahydropyridine
CID 91748327
4-(2-Furylmethylene)-3-(2-methylphenyl)isoxazol-5-one
CID 5390685
7-[(1-Benzoyl-3,4-dihydroisoquinolin-6-yl)oxy]heptan-3-one
CID 44364811
1-(Furan-2-yl)-6,7-dimethoxy-3,4-dihydroisoquinoline
CID 135078342

Frequently Asked Questions

What is the IUPAC name of 1-(furan-2-yl)-3,4-dihydroisoquinoline?
The IUPAC name of 1-(furan-2-yl)-3,4-dihydroisoquinoline (CID 873979) is 1-(furan-2-yl)-3,4-dihydroisoquinoline.
What is the SMILES notation for 1-(furan-2-yl)-3,4-dihydroisoquinoline?
The canonical SMILES for 1-(furan-2-yl)-3,4-dihydroisoquinoline is c1coc(C2=NCCc3ccccc32)c1.
What is the InChIKey of 1-(furan-2-yl)-3,4-dihydroisoquinoline?
The InChIKey is FPFBTNSNJKDVAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11NO/c1-2-5-11-10(4-1)7-8-14-13(11)12-6-3-9-15-12/h1-6,9H,7-8H2.
What are the key properties of 1-(furan-2-yl)-3,4-dihydroisoquinoline?
1-(furan-2-yl)-3,4-dihydroisoquinoline has a molecular weight of 197.24 g/mol, XLogP of 2.67, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-2-yl)-3,4-dihydroisoquinoline is sourced from PubChem (CID 873979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).