1,2,3,5,6,6a-hexahydroimidazo[2,1-a]isoquinoline

C11H14N2 — CID 154354723

IUPAC1,2,3,5,6,6a-hexahydroimidazo[2,1-a]isoquinoline
SMILESC1=CC2=C3NCCN3CCC2C=C1
InChIInChI=1S/C11H14N2/c1-2-4-10-9(3-1)5-7-13-8-6-12-11(10)13/h1-4,9,12H,5-8H2
InChIKeyHZYSFSPHTJBWLR-UHFFFAOYSA-N
MW174.25 g/mol
LogP1.25
Rot. Bonds

About 1,2,3,5,6,6a-hexahydroimidazo[2,1-a]isoquinoline

1,2,3,5,6,6a-hexahydroimidazo[2,1-a]isoquinoline (PubChem CID 154354723) has the molecular formula C11H14N2 and a molecular weight of 174.25 g/mol. Its IUPAC name is 1,2,3,5,6,6a-hexahydroimidazo[2,1-a]isoquinoline.

Molecular Properties

Compound Name1,2,3,5,6,6a-hexahydroimidazo[2,1-a]isoquinoline
PubChem CID154354723
Molecular FormulaC11H14N2
Molecular Weight174.25 g/mol
Exact Mass174.12
IUPAC Name1,2,3,5,6,6a-hexahydroimidazo[2,1-a]isoquinoline
SMILESC1=CC2=C3NCCN3CCC2C=C1
InChIInChI=1S/C11H14N2/c1-2-4-10-9(3-1)5-7-13-8-6-12-11(10)13/h1-4,9,12H,5-8H2
InChIKeyHZYSFSPHTJBWLR-UHFFFAOYSA-N
XLogP1.25
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.25
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,2,3,5,6,6a-hexahydroimidazo[2,1-a]isoquinoline?
The IUPAC name of 1,2,3,5,6,6a-hexahydroimidazo[2,1-a]isoquinoline (CID 154354723) is 1,2,3,5,6,6a-hexahydroimidazo[2,1-a]isoquinoline.
What is the SMILES notation for 1,2,3,5,6,6a-hexahydroimidazo[2,1-a]isoquinoline?
The canonical SMILES for 1,2,3,5,6,6a-hexahydroimidazo[2,1-a]isoquinoline is C1=CC2=C3NCCN3CCC2C=C1.
What is the InChIKey of 1,2,3,5,6,6a-hexahydroimidazo[2,1-a]isoquinoline?
The InChIKey is HZYSFSPHTJBWLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2/c1-2-4-10-9(3-1)5-7-13-8-6-12-11(10)13/h1-4,9,12H,5-8H2.
What are the key properties of 1,2,3,5,6,6a-hexahydroimidazo[2,1-a]isoquinoline?
1,2,3,5,6,6a-hexahydroimidazo[2,1-a]isoquinoline has a molecular weight of 174.25 g/mol, XLogP of 1.25, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,5,6,6a-hexahydroimidazo[2,1-a]isoquinoline is sourced from PubChem (CID 154354723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).