1-isoquinolin-6-ylcyclopentane-1-carboxylic acid

C15H15NO2 — CID 117355313

IUPAC1-isoquinolin-6-ylcyclopentane-1-carboxylic acid
SMILESO=C(O)C1(c2ccc3cnccc3c2)CCCC1
InChIInChI=1S/C15H15NO2/c17-14(18)15(6-1-2-7-15)13-4-3-12-10-16-8-5-11(12)9-13/h3-5,8-10H,1-2,6-7H2,(H,17,18)
InChIKeyGQIJLHZYCZKJKF-UHFFFAOYSA-N
MW241.29 g/mol
LogP3.13
Rot. Bonds2

About 1-isoquinolin-6-ylcyclopentane-1-carboxylic acid

1-isoquinolin-6-ylcyclopentane-1-carboxylic acid (PubChem CID 117355313) has the molecular formula C15H15NO2 and a molecular weight of 241.29 g/mol. Its IUPAC name is 1-isoquinolin-6-ylcyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-isoquinolin-6-ylcyclopentane-1-carboxylic acid
PubChem CID117355313
Molecular FormulaC15H15NO2
Molecular Weight241.29 g/mol
Exact Mass241.11
IUPAC Name1-isoquinolin-6-ylcyclopentane-1-carboxylic acid
SMILESO=C(O)C1(c2ccc3cnccc3c2)CCCC1
InChIInChI=1S/C15H15NO2/c17-14(18)15(6-1-2-7-15)13-4-3-12-10-16-8-5-11(12)9-13/h3-5,8-10H,1-2,6-7H2,(H,17,18)
InChIKeyGQIJLHZYCZKJKF-UHFFFAOYSA-N
XLogP3.13
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-isoquinolin-6-ylcyclopentane-1-carboxylic acid?
The IUPAC name of 1-isoquinolin-6-ylcyclopentane-1-carboxylic acid (CID 117355313) is 1-isoquinolin-6-ylcyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-isoquinolin-6-ylcyclopentane-1-carboxylic acid?
The canonical SMILES for 1-isoquinolin-6-ylcyclopentane-1-carboxylic acid is O=C(O)C1(c2ccc3cnccc3c2)CCCC1.
What is the InChIKey of 1-isoquinolin-6-ylcyclopentane-1-carboxylic acid?
The InChIKey is GQIJLHZYCZKJKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO2/c17-14(18)15(6-1-2-7-15)13-4-3-12-10-16-8-5-11(12)9-13/h3-5,8-10H,1-2,6-7H2,(H,17,18).
What are the key properties of 1-isoquinolin-6-ylcyclopentane-1-carboxylic acid?
1-isoquinolin-6-ylcyclopentane-1-carboxylic acid has a molecular weight of 241.29 g/mol, XLogP of 3.13, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-isoquinolin-6-ylcyclopentane-1-carboxylic acid is sourced from PubChem (CID 117355313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).