2,3,4,4a,5,6,6a,7-octahydro-1H-pyrrolo[2,3-h]isoquinoline

C11H16N2 — CID 70104455

IUPAC2,3,4,4a,5,6,6a,7-octahydro-1H-pyrrolo[2,3-h]isoquinoline
SMILESC1=CC2=C3CNCCC3CCC2N1
InChIInChI=1S/C11H16N2/c1-2-11-9(4-6-13-11)10-7-12-5-3-8(1)10/h4,6,8,11-13H,1-3,5,7H2
InChIKeyGHILCWDYLWVMOB-UHFFFAOYSA-N
MW176.26 g/mol
LogP1.17
Rot. Bonds

About 2,3,4,4a,5,6,6a,7-octahydro-1H-pyrrolo[2,3-h]isoquinoline

2,3,4,4a,5,6,6a,7-octahydro-1H-pyrrolo[2,3-h]isoquinoline (PubChem CID 70104455) has the molecular formula C11H16N2 and a molecular weight of 176.26 g/mol. Its IUPAC name is 2,3,4,4a,5,6,6a,7-octahydro-1H-pyrrolo[2,3-h]isoquinoline.

Molecular Properties

Compound Name2,3,4,4a,5,6,6a,7-octahydro-1H-pyrrolo[2,3-h]isoquinoline
PubChem CID70104455
Molecular FormulaC11H16N2
Molecular Weight176.26 g/mol
Exact Mass176.13
IUPAC Name2,3,4,4a,5,6,6a,7-octahydro-1H-pyrrolo[2,3-h]isoquinoline
SMILESC1=CC2=C3CNCCC3CCC2N1
InChIInChI=1S/C11H16N2/c1-2-11-9(4-6-13-11)10-7-12-5-3-8(1)10/h4,6,8,11-13H,1-3,5,7H2
InChIKeyGHILCWDYLWVMOB-UHFFFAOYSA-N
XLogP1.17
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.26
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,3,4,4a,5,6,6a,7-octahydro-1H-pyrrolo[2,3-h]isoquinoline?
The IUPAC name of 2,3,4,4a,5,6,6a,7-octahydro-1H-pyrrolo[2,3-h]isoquinoline (CID 70104455) is 2,3,4,4a,5,6,6a,7-octahydro-1H-pyrrolo[2,3-h]isoquinoline.
What is the SMILES notation for 2,3,4,4a,5,6,6a,7-octahydro-1H-pyrrolo[2,3-h]isoquinoline?
The canonical SMILES for 2,3,4,4a,5,6,6a,7-octahydro-1H-pyrrolo[2,3-h]isoquinoline is C1=CC2=C3CNCCC3CCC2N1.
What is the InChIKey of 2,3,4,4a,5,6,6a,7-octahydro-1H-pyrrolo[2,3-h]isoquinoline?
The InChIKey is GHILCWDYLWVMOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2/c1-2-11-9(4-6-13-11)10-7-12-5-3-8(1)10/h4,6,8,11-13H,1-3,5,7H2.
What are the key properties of 2,3,4,4a,5,6,6a,7-octahydro-1H-pyrrolo[2,3-h]isoquinoline?
2,3,4,4a,5,6,6a,7-octahydro-1H-pyrrolo[2,3-h]isoquinoline has a molecular weight of 176.26 g/mol, XLogP of 1.17, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4,4a,5,6,6a,7-octahydro-1H-pyrrolo[2,3-h]isoquinoline is sourced from PubChem (CID 70104455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).