3-(cyclohexen-1-yl)isoquinoline

C15H15N — CID 11138338

IUPAC3-(cyclohexen-1-yl)isoquinoline
SMILESC1=C(c2cc3ccccc3cn2)CCCC1
InChIInChI=1S/C15H15N/c1-2-6-12(7-3-1)15-10-13-8-4-5-9-14(13)11-16-15/h4-6,8-11H,1-3,7H2
InChIKeyPIYQJOXJMKNHRZ-UHFFFAOYSA-N
MW209.29 g/mol
LogP4.19
Rot. Bonds1

About 3-(cyclohexen-1-yl)isoquinoline

3-(cyclohexen-1-yl)isoquinoline (PubChem CID 11138338) has the molecular formula C15H15N and a molecular weight of 209.29 g/mol. Its IUPAC name is 3-(cyclohexen-1-yl)isoquinoline.

Molecular Properties

Compound Name3-(cyclohexen-1-yl)isoquinoline
PubChem CID11138338
Molecular FormulaC15H15N
Molecular Weight209.29 g/mol
Exact Mass209.12
IUPAC Name3-(cyclohexen-1-yl)isoquinoline
SMILESC1=C(c2cc3ccccc3cn2)CCCC1
InChIInChI=1S/C15H15N/c1-2-6-12(7-3-1)15-10-13-8-4-5-9-14(13)11-16-15/h4-6,8-11H,1-3,7H2
InChIKeyPIYQJOXJMKNHRZ-UHFFFAOYSA-N
XLogP4.19
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-(cyclohexen-1-yl)isoquinoline?
The IUPAC name of 3-(cyclohexen-1-yl)isoquinoline (CID 11138338) is 3-(cyclohexen-1-yl)isoquinoline.
What is the SMILES notation for 3-(cyclohexen-1-yl)isoquinoline?
The canonical SMILES for 3-(cyclohexen-1-yl)isoquinoline is C1=C(c2cc3ccccc3cn2)CCCC1.
What is the InChIKey of 3-(cyclohexen-1-yl)isoquinoline?
The InChIKey is PIYQJOXJMKNHRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N/c1-2-6-12(7-3-1)15-10-13-8-4-5-9-14(13)11-16-15/h4-6,8-11H,1-3,7H2.
What are the key properties of 3-(cyclohexen-1-yl)isoquinoline?
3-(cyclohexen-1-yl)isoquinoline has a molecular weight of 209.29 g/mol, XLogP of 4.19, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclohexen-1-yl)isoquinoline is sourced from PubChem (CID 11138338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).