1-isoquinolin-8-ylcyclohex-2-en-1-ol

C15H15NO — CID 103143104

IUPAC1-isoquinolin-8-ylcyclohex-2-en-1-ol
SMILESOC1(c2cccc3ccncc23)C=CCCC1
InChIInChI=1S/C15H15NO/c17-15(8-2-1-3-9-15)14-6-4-5-12-7-10-16-11-13(12)14/h2,4-8,10-11,17H,1,3,9H2
InChIKeyBXMKCAZGIQPLPA-UHFFFAOYSA-N
MW225.29 g/mol
LogP3.16
Rot. Bonds1

About 1-isoquinolin-8-ylcyclohex-2-en-1-ol

1-isoquinolin-8-ylcyclohex-2-en-1-ol (PubChem CID 103143104) has the molecular formula C15H15NO and a molecular weight of 225.29 g/mol. Its IUPAC name is 1-isoquinolin-8-ylcyclohex-2-en-1-ol.

Molecular Properties

Compound Name1-isoquinolin-8-ylcyclohex-2-en-1-ol
PubChem CID103143104
Molecular FormulaC15H15NO
Molecular Weight225.29 g/mol
Exact Mass225.12
IUPAC Name1-isoquinolin-8-ylcyclohex-2-en-1-ol
SMILESOC1(c2cccc3ccncc23)C=CCCC1
InChIInChI=1S/C15H15NO/c17-15(8-2-1-3-9-15)14-6-4-5-12-7-10-16-11-13(12)14/h2,4-8,10-11,17H,1,3,9H2
InChIKeyBXMKCAZGIQPLPA-UHFFFAOYSA-N
XLogP3.16
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-isoquinolin-8-ylcyclohex-2-en-1-ol?
The IUPAC name of 1-isoquinolin-8-ylcyclohex-2-en-1-ol (CID 103143104) is 1-isoquinolin-8-ylcyclohex-2-en-1-ol.
What is the SMILES notation for 1-isoquinolin-8-ylcyclohex-2-en-1-ol?
The canonical SMILES for 1-isoquinolin-8-ylcyclohex-2-en-1-ol is OC1(c2cccc3ccncc23)C=CCCC1.
What is the InChIKey of 1-isoquinolin-8-ylcyclohex-2-en-1-ol?
The InChIKey is BXMKCAZGIQPLPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO/c17-15(8-2-1-3-9-15)14-6-4-5-12-7-10-16-11-13(12)14/h2,4-8,10-11,17H,1,3,9H2.
What are the key properties of 1-isoquinolin-8-ylcyclohex-2-en-1-ol?
1-isoquinolin-8-ylcyclohex-2-en-1-ol has a molecular weight of 225.29 g/mol, XLogP of 3.16, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-isoquinolin-8-ylcyclohex-2-en-1-ol is sourced from PubChem (CID 103143104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).