2-cyclopentyl-4,5-dimethylisoquinolin-1-one

C16H19NO — CID 115044364

IUPAC2-cyclopentyl-4,5-dimethylisoquinolin-1-one
SMILESCc1cccc2c(=O)n(C3CCCC3)cc(C)c12
InChIInChI=1S/C16H19NO/c1-11-6-5-9-14-15(11)12(2)10-17(16(14)18)13-7-3-4-8-13/h5-6,9-10,13H,3-4,7-8H2,1-2H3
InChIKeyZSRIYJGBZIQMLJ-UHFFFAOYSA-N
MW241.33 g/mol
LogP3.73
Rot. Bonds1

About 2-cyclopentyl-4,5-dimethylisoquinolin-1-one

2-cyclopentyl-4,5-dimethylisoquinolin-1-one (PubChem CID 115044364) has the molecular formula C16H19NO and a molecular weight of 241.33 g/mol. Its IUPAC name is 2-cyclopentyl-4,5-dimethylisoquinolin-1-one.

Molecular Properties

Compound Name2-cyclopentyl-4,5-dimethylisoquinolin-1-one
PubChem CID115044364
Molecular FormulaC16H19NO
Molecular Weight241.33 g/mol
Exact Mass241.15
IUPAC Name2-cyclopentyl-4,5-dimethylisoquinolin-1-one
SMILESCc1cccc2c(=O)n(C3CCCC3)cc(C)c12
InChIInChI=1S/C16H19NO/c1-11-6-5-9-14-15(11)12(2)10-17(16(14)18)13-7-3-4-8-13/h5-6,9-10,13H,3-4,7-8H2,1-2H3
InChIKeyZSRIYJGBZIQMLJ-UHFFFAOYSA-N
XLogP3.73
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-4,5-dimethylisoquinolin-1-one?
The IUPAC name of 2-cyclopentyl-4,5-dimethylisoquinolin-1-one (CID 115044364) is 2-cyclopentyl-4,5-dimethylisoquinolin-1-one.
What is the SMILES notation for 2-cyclopentyl-4,5-dimethylisoquinolin-1-one?
The canonical SMILES for 2-cyclopentyl-4,5-dimethylisoquinolin-1-one is Cc1cccc2c(=O)n(C3CCCC3)cc(C)c12.
What is the InChIKey of 2-cyclopentyl-4,5-dimethylisoquinolin-1-one?
The InChIKey is ZSRIYJGBZIQMLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO/c1-11-6-5-9-14-15(11)12(2)10-17(16(14)18)13-7-3-4-8-13/h5-6,9-10,13H,3-4,7-8H2,1-2H3.
What are the key properties of 2-cyclopentyl-4,5-dimethylisoquinolin-1-one?
2-cyclopentyl-4,5-dimethylisoquinolin-1-one has a molecular weight of 241.33 g/mol, XLogP of 3.73, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-4,5-dimethylisoquinolin-1-one is sourced from PubChem (CID 115044364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).