6-cyclopentylisoquinoline

C14H15N — CID 154662765

IUPAC6-cyclopentylisoquinoline
SMILESc1cc2cc(C3CCCC3)ccc2cn1
InChIInChI=1S/C14H15N/c1-2-4-11(3-1)12-5-6-14-10-15-8-7-13(14)9-12/h5-11H,1-4H2
InChIKeyRTDZOQLNBULYJK-UHFFFAOYSA-N
MW197.28 g/mol
LogP3.89
Rot. Bonds1

About 6-cyclopentylisoquinoline

6-cyclopentylisoquinoline (PubChem CID 154662765) has the molecular formula C14H15N and a molecular weight of 197.28 g/mol. Its IUPAC name is 6-cyclopentylisoquinoline.

Molecular Properties

Compound Name6-cyclopentylisoquinoline
PubChem CID154662765
Molecular FormulaC14H15N
Molecular Weight197.28 g/mol
Exact Mass197.12
IUPAC Name6-cyclopentylisoquinoline
SMILESc1cc2cc(C3CCCC3)ccc2cn1
InChIInChI=1S/C14H15N/c1-2-4-11(3-1)12-5-6-14-10-15-8-7-13(14)9-12/h5-11H,1-4H2
InChIKeyRTDZOQLNBULYJK-UHFFFAOYSA-N
XLogP3.89
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-cyclopentylisoquinoline?
The IUPAC name of 6-cyclopentylisoquinoline (CID 154662765) is 6-cyclopentylisoquinoline.
What is the SMILES notation for 6-cyclopentylisoquinoline?
The canonical SMILES for 6-cyclopentylisoquinoline is c1cc2cc(C3CCCC3)ccc2cn1.
What is the InChIKey of 6-cyclopentylisoquinoline?
The InChIKey is RTDZOQLNBULYJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N/c1-2-4-11(3-1)12-5-6-14-10-15-8-7-13(14)9-12/h5-11H,1-4H2.
What are the key properties of 6-cyclopentylisoquinoline?
6-cyclopentylisoquinoline has a molecular weight of 197.28 g/mol, XLogP of 3.89, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopentylisoquinoline is sourced from PubChem (CID 154662765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).