6-(1-cyclopentylethyl)-2H-isoquinolin-1-one

C16H19NO — CID 146431995

IUPAC6-(1-cyclopentylethyl)-2H-isoquinolin-1-one
SMILESCC(c1ccc2c(=O)[nH]ccc2c1)C1CCCC1
InChIInChI=1S/C16H19NO/c1-11(12-4-2-3-5-12)13-6-7-15-14(10-13)8-9-17-16(15)18/h6-12H,2-5H2,1H3,(H,17,18)
InChIKeyQROQJFMSQZHPRB-UHFFFAOYSA-N
MW241.33 g/mol
LogP3.82
Rot. Bonds2

About 6-(1-cyclopentylethyl)-2H-isoquinolin-1-one

6-(1-cyclopentylethyl)-2H-isoquinolin-1-one (PubChem CID 146431995) has the molecular formula C16H19NO and a molecular weight of 241.33 g/mol. Its IUPAC name is 6-(1-cyclopentylethyl)-2H-isoquinolin-1-one.

Molecular Properties

Compound Name6-(1-cyclopentylethyl)-2H-isoquinolin-1-one
PubChem CID146431995
Molecular FormulaC16H19NO
Molecular Weight241.33 g/mol
Exact Mass241.15
IUPAC Name6-(1-cyclopentylethyl)-2H-isoquinolin-1-one
SMILESCC(c1ccc2c(=O)[nH]ccc2c1)C1CCCC1
InChIInChI=1S/C16H19NO/c1-11(12-4-2-3-5-12)13-6-7-15-14(10-13)8-9-17-16(15)18/h6-12H,2-5H2,1H3,(H,17,18)
InChIKeyQROQJFMSQZHPRB-UHFFFAOYSA-N
XLogP3.82
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-(1-cyclopentylethyl)-2H-isoquinolin-1-one?
The IUPAC name of 6-(1-cyclopentylethyl)-2H-isoquinolin-1-one (CID 146431995) is 6-(1-cyclopentylethyl)-2H-isoquinolin-1-one.
What is the SMILES notation for 6-(1-cyclopentylethyl)-2H-isoquinolin-1-one?
The canonical SMILES for 6-(1-cyclopentylethyl)-2H-isoquinolin-1-one is CC(c1ccc2c(=O)[nH]ccc2c1)C1CCCC1.
What is the InChIKey of 6-(1-cyclopentylethyl)-2H-isoquinolin-1-one?
The InChIKey is QROQJFMSQZHPRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO/c1-11(12-4-2-3-5-12)13-6-7-15-14(10-13)8-9-17-16(15)18/h6-12H,2-5H2,1H3,(H,17,18).
What are the key properties of 6-(1-cyclopentylethyl)-2H-isoquinolin-1-one?
6-(1-cyclopentylethyl)-2H-isoquinolin-1-one has a molecular weight of 241.33 g/mol, XLogP of 3.82, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-cyclopentylethyl)-2H-isoquinolin-1-one is sourced from PubChem (CID 146431995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).