6-(1-cyclopentylethenyl)-1,2-dihydroisoquinoline

C16H19N — CID 170099991

IUPAC6-(1-cyclopentylethenyl)-1,2-dihydroisoquinoline
SMILESC=C(c1ccc2c(c1)C=CNC2)C1CCCC1
InChIInChI=1S/C16H19N/c1-12(13-4-2-3-5-13)14-6-7-16-11-17-9-8-15(16)10-14/h6-10,13,17H,1-5,11H2
InChIKeyWWQGQZZHTCPECI-UHFFFAOYSA-N
MW225.34 g/mol
LogP3.96
Rot. Bonds2

About 6-(1-cyclopentylethenyl)-1,2-dihydroisoquinoline

6-(1-cyclopentylethenyl)-1,2-dihydroisoquinoline (PubChem CID 170099991) has the molecular formula C16H19N and a molecular weight of 225.34 g/mol. Its IUPAC name is 6-(1-cyclopentylethenyl)-1,2-dihydroisoquinoline.

Molecular Properties

Compound Name6-(1-cyclopentylethenyl)-1,2-dihydroisoquinoline
PubChem CID170099991
Molecular FormulaC16H19N
Molecular Weight225.34 g/mol
Exact Mass225.15
IUPAC Name6-(1-cyclopentylethenyl)-1,2-dihydroisoquinoline
SMILESC=C(c1ccc2c(c1)C=CNC2)C1CCCC1
InChIInChI=1S/C16H19N/c1-12(13-4-2-3-5-13)14-6-7-16-11-17-9-8-15(16)10-14/h6-10,13,17H,1-5,11H2
InChIKeyWWQGQZZHTCPECI-UHFFFAOYSA-N
XLogP3.96
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.34
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-(1-cyclopentylethenyl)-1,2-dihydroisoquinoline?
The IUPAC name of 6-(1-cyclopentylethenyl)-1,2-dihydroisoquinoline (CID 170099991) is 6-(1-cyclopentylethenyl)-1,2-dihydroisoquinoline.
What is the SMILES notation for 6-(1-cyclopentylethenyl)-1,2-dihydroisoquinoline?
The canonical SMILES for 6-(1-cyclopentylethenyl)-1,2-dihydroisoquinoline is C=C(c1ccc2c(c1)C=CNC2)C1CCCC1.
What is the InChIKey of 6-(1-cyclopentylethenyl)-1,2-dihydroisoquinoline?
The InChIKey is WWQGQZZHTCPECI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N/c1-12(13-4-2-3-5-13)14-6-7-16-11-17-9-8-15(16)10-14/h6-10,13,17H,1-5,11H2.
What are the key properties of 6-(1-cyclopentylethenyl)-1,2-dihydroisoquinoline?
6-(1-cyclopentylethenyl)-1,2-dihydroisoquinoline has a molecular weight of 225.34 g/mol, XLogP of 3.96, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-cyclopentylethenyl)-1,2-dihydroisoquinoline is sourced from PubChem (CID 170099991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).