1,2,3,8,9,10-hexahydropyrrolo[3,2-e]isoquinoline

C11H14N2 — CID 70002016

IUPAC1,2,3,8,9,10-hexahydropyrrolo[3,2-e]isoquinoline
SMILESC1=CC2=CNCCC23CCNC3=C1
InChIInChI=1S/C11H14N2/c1-2-9-8-12-6-4-11(9)5-7-13-10(11)3-1/h1-3,8,12-13H,4-7H2
InChIKeyQLWTYJOOQDOHLM-UHFFFAOYSA-N
MW174.25 g/mol
LogP1.30
Rot. Bonds

About 1,2,3,8,9,10-hexahydropyrrolo[3,2-e]isoquinoline

1,2,3,8,9,10-hexahydropyrrolo[3,2-e]isoquinoline (PubChem CID 70002016) has the molecular formula C11H14N2 and a molecular weight of 174.25 g/mol. Its IUPAC name is 1,2,3,8,9,10-hexahydropyrrolo[3,2-e]isoquinoline.

Molecular Properties

Compound Name1,2,3,8,9,10-hexahydropyrrolo[3,2-e]isoquinoline
PubChem CID70002016
Molecular FormulaC11H14N2
Molecular Weight174.25 g/mol
Exact Mass174.12
IUPAC Name1,2,3,8,9,10-hexahydropyrrolo[3,2-e]isoquinoline
SMILESC1=CC2=CNCCC23CCNC3=C1
InChIInChI=1S/C11H14N2/c1-2-9-8-12-6-4-11(9)5-7-13-10(11)3-1/h1-3,8,12-13H,4-7H2
InChIKeyQLWTYJOOQDOHLM-UHFFFAOYSA-N
XLogP1.30
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.25
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,2,3,8,9,10-hexahydropyrrolo[3,2-e]isoquinoline?
The IUPAC name of 1,2,3,8,9,10-hexahydropyrrolo[3,2-e]isoquinoline (CID 70002016) is 1,2,3,8,9,10-hexahydropyrrolo[3,2-e]isoquinoline.
What is the SMILES notation for 1,2,3,8,9,10-hexahydropyrrolo[3,2-e]isoquinoline?
The canonical SMILES for 1,2,3,8,9,10-hexahydropyrrolo[3,2-e]isoquinoline is C1=CC2=CNCCC23CCNC3=C1.
What is the InChIKey of 1,2,3,8,9,10-hexahydropyrrolo[3,2-e]isoquinoline?
The InChIKey is QLWTYJOOQDOHLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2/c1-2-9-8-12-6-4-11(9)5-7-13-10(11)3-1/h1-3,8,12-13H,4-7H2.
What are the key properties of 1,2,3,8,9,10-hexahydropyrrolo[3,2-e]isoquinoline?
1,2,3,8,9,10-hexahydropyrrolo[3,2-e]isoquinoline has a molecular weight of 174.25 g/mol, XLogP of 1.30, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,8,9,10-hexahydropyrrolo[3,2-e]isoquinoline is sourced from PubChem (CID 70002016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).