2-isoquinolin-8-ylcyclohexan-1-one

C15H15NO — CID 103139180

IUPAC2-isoquinolin-8-ylcyclohexan-1-one
SMILESO=C1CCCCC1c1cccc2ccncc12
InChIInChI=1S/C15H15NO/c17-15-7-2-1-5-13(15)12-6-3-4-11-8-9-16-10-14(11)12/h3-4,6,8-10,13H,1-2,5,7H2
InChIKeyGXWAWSPWOIRKAZ-UHFFFAOYSA-N
MW225.29 g/mol
LogP3.46
Rot. Bonds1

About 2-isoquinolin-8-ylcyclohexan-1-one

2-isoquinolin-8-ylcyclohexan-1-one (PubChem CID 103139180) has the molecular formula C15H15NO and a molecular weight of 225.29 g/mol. Its IUPAC name is 2-isoquinolin-8-ylcyclohexan-1-one.

Molecular Properties

Compound Name2-isoquinolin-8-ylcyclohexan-1-one
PubChem CID103139180
Molecular FormulaC15H15NO
Molecular Weight225.29 g/mol
Exact Mass225.12
IUPAC Name2-isoquinolin-8-ylcyclohexan-1-one
SMILESO=C1CCCCC1c1cccc2ccncc12
InChIInChI=1S/C15H15NO/c17-15-7-2-1-5-13(15)12-6-3-4-11-8-9-16-10-14(11)12/h3-4,6,8-10,13H,1-2,5,7H2
InChIKeyGXWAWSPWOIRKAZ-UHFFFAOYSA-N
XLogP3.46
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-isoquinolin-8-ylcyclohexan-1-one?
The IUPAC name of 2-isoquinolin-8-ylcyclohexan-1-one (CID 103139180) is 2-isoquinolin-8-ylcyclohexan-1-one.
What is the SMILES notation for 2-isoquinolin-8-ylcyclohexan-1-one?
The canonical SMILES for 2-isoquinolin-8-ylcyclohexan-1-one is O=C1CCCCC1c1cccc2ccncc12.
What is the InChIKey of 2-isoquinolin-8-ylcyclohexan-1-one?
The InChIKey is GXWAWSPWOIRKAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO/c17-15-7-2-1-5-13(15)12-6-3-4-11-8-9-16-10-14(11)12/h3-4,6,8-10,13H,1-2,5,7H2.
What are the key properties of 2-isoquinolin-8-ylcyclohexan-1-one?
2-isoquinolin-8-ylcyclohexan-1-one has a molecular weight of 225.29 g/mol, XLogP of 3.46, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-isoquinolin-8-ylcyclohexan-1-one is sourced from PubChem (CID 103139180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).