6-(furan-2-yl)-1,1-dimethyl-2,4-dihydroisoquinolin-3-one

C15H15NO2 — CID 168527165

IUPAC6-(furan-2-yl)-1,1-dimethyl-2,4-dihydroisoquinolin-3-one
SMILESCC1(C)NC(=O)Cc2cc(-c3ccco3)ccc21
InChIInChI=1S/C15H15NO2/c1-15(2)12-6-5-10(13-4-3-7-18-13)8-11(12)9-14(17)16-15/h3-8H,9H2,1-2H3,(H,16,17)
InChIKeyHKOAJKHRLJLSTR-UHFFFAOYSA-N
MW241.29 g/mol
LogP2.85
Rot. Bonds1

About 6-(furan-2-yl)-1,1-dimethyl-2,4-dihydroisoquinolin-3-one

6-(furan-2-yl)-1,1-dimethyl-2,4-dihydroisoquinolin-3-one (PubChem CID 168527165) has the molecular formula C15H15NO2 and a molecular weight of 241.29 g/mol. Its IUPAC name is 6-(furan-2-yl)-1,1-dimethyl-2,4-dihydroisoquinolin-3-one.

Molecular Properties

Compound Name6-(furan-2-yl)-1,1-dimethyl-2,4-dihydroisoquinolin-3-one
PubChem CID168527165
Molecular FormulaC15H15NO2
Molecular Weight241.29 g/mol
Exact Mass241.11
IUPAC Name6-(furan-2-yl)-1,1-dimethyl-2,4-dihydroisoquinolin-3-one
SMILESCC1(C)NC(=O)Cc2cc(-c3ccco3)ccc21
InChIInChI=1S/C15H15NO2/c1-15(2)12-6-5-10(13-4-3-7-18-13)8-11(12)9-14(17)16-15/h3-8H,9H2,1-2H3,(H,16,17)
InChIKeyHKOAJKHRLJLSTR-UHFFFAOYSA-N
XLogP2.85
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-(furan-2-yl)-4,4-dimethyl-1,3-dihydroquinolin-2-one
CID 168528419
2-(5,6,7,8-tetrahydronaphthalen-2-yl)furan
CID 90886598
7-(furan-2-yl)-1-methyl-1,2,3,4-tetrahydroisoquinoline
CID 66875823
3-[3-(furan-2-yl)phenyl]-1,4-dihydropyrazol-5-one
CID 168525548
1-[2-(furan-2-yl)-5,6-dihydrobenzo[b][1]benzazepin-11-yl]ethanone
CID 102047890
2-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-2-yl)furan
CID 146495264
methyl N-cyano-N'-(1,1-dimethyl-3-oxo-2,4-dihydroisoquinolin-6-yl)carbamimidothioate
CID 169363095
8-(furan-2-yl)-3,3,5-trimethyl-2H-1,5-benzoxazepin-4-one
CID 168528038
1,1-dimethyl-8-nitro-4,5-dihydro-2H-2-benzazepin-3-one
CID 67264026
2-tert-butyl-5-(furan-2-yl)isoindole-1,3-dione
CID 168527569
9-(furan-2-yl)-2,4-dihydroxy-6H-benzo[b][1]benzothiepin-5-one
CID 23431870
2-(4-fluoro-3-methylphenyl)furan
CID 135296198

Frequently Asked Questions

What is the IUPAC name of 6-(furan-2-yl)-1,1-dimethyl-2,4-dihydroisoquinolin-3-one?
The IUPAC name of 6-(furan-2-yl)-1,1-dimethyl-2,4-dihydroisoquinolin-3-one (CID 168527165) is 6-(furan-2-yl)-1,1-dimethyl-2,4-dihydroisoquinolin-3-one.
What is the SMILES notation for 6-(furan-2-yl)-1,1-dimethyl-2,4-dihydroisoquinolin-3-one?
The canonical SMILES for 6-(furan-2-yl)-1,1-dimethyl-2,4-dihydroisoquinolin-3-one is CC1(C)NC(=O)Cc2cc(-c3ccco3)ccc21.
What is the InChIKey of 6-(furan-2-yl)-1,1-dimethyl-2,4-dihydroisoquinolin-3-one?
The InChIKey is HKOAJKHRLJLSTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO2/c1-15(2)12-6-5-10(13-4-3-7-18-13)8-11(12)9-14(17)16-15/h3-8H,9H2,1-2H3,(H,16,17).
What are the key properties of 6-(furan-2-yl)-1,1-dimethyl-2,4-dihydroisoquinolin-3-one?
6-(furan-2-yl)-1,1-dimethyl-2,4-dihydroisoquinolin-3-one has a molecular weight of 241.29 g/mol, XLogP of 2.85, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(furan-2-yl)-1,1-dimethyl-2,4-dihydroisoquinolin-3-one is sourced from PubChem (CID 168527165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).