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

C11H14N2 — CID 67544643

IUPAC2,3,4,4a,5,6-hexahydro-1H-pyrrolo[2,3-h]isoquinoline
SMILESC1=CC2=C3CNCCC3CCC2=N1
InChIInChI=1S/C11H14N2/c1-2-11-9(4-6-13-11)10-7-12-5-3-8(1)10/h4,6,8,12H,1-3,5,7H2
InChIKeyMPPLOVQZNNERIU-UHFFFAOYSA-N
MW174.25 g/mol
LogP1.65
Rot. Bonds

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

2,3,4,4a,5,6-hexahydro-1H-pyrrolo[2,3-h]isoquinoline (PubChem CID 67544643) has the molecular formula C11H14N2 and a molecular weight of 174.25 g/mol. Its IUPAC name is 2,3,4,4a,5,6-hexahydro-1H-pyrrolo[2,3-h]isoquinoline.

Molecular Properties

Compound Name2,3,4,4a,5,6-hexahydro-1H-pyrrolo[2,3-h]isoquinoline
PubChem CID67544643
Molecular FormulaC11H14N2
Molecular Weight174.25 g/mol
Exact Mass174.12
IUPAC Name2,3,4,4a,5,6-hexahydro-1H-pyrrolo[2,3-h]isoquinoline
SMILESC1=CC2=C3CNCCC3CCC2=N1
InChIInChI=1S/C11H14N2/c1-2-11-9(4-6-13-11)10-7-12-5-3-8(1)10/h4,6,8,12H,1-3,5,7H2
InChIKeyMPPLOVQZNNERIU-UHFFFAOYSA-N
XLogP1.65
TPSA24.39 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 ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2,3,4,4a,5,6-hexahydro-1H-pyrrolo[2,3-h]isoquinoline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2,3,4,4a,5,6-hexahydro-1H-pyrrolo[2,3-h]isoquinoline?
The IUPAC name of 2,3,4,4a,5,6-hexahydro-1H-pyrrolo[2,3-h]isoquinoline (CID 67544643) is 2,3,4,4a,5,6-hexahydro-1H-pyrrolo[2,3-h]isoquinoline.
What is the SMILES notation for 2,3,4,4a,5,6-hexahydro-1H-pyrrolo[2,3-h]isoquinoline?
The canonical SMILES for 2,3,4,4a,5,6-hexahydro-1H-pyrrolo[2,3-h]isoquinoline is C1=CC2=C3CNCCC3CCC2=N1.
What is the InChIKey of 2,3,4,4a,5,6-hexahydro-1H-pyrrolo[2,3-h]isoquinoline?
The InChIKey is MPPLOVQZNNERIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2/c1-2-11-9(4-6-13-11)10-7-12-5-3-8(1)10/h4,6,8,12H,1-3,5,7H2.
What are the key properties of 2,3,4,4a,5,6-hexahydro-1H-pyrrolo[2,3-h]isoquinoline?
2,3,4,4a,5,6-hexahydro-1H-pyrrolo[2,3-h]isoquinoline has a molecular weight of 174.25 g/mol, XLogP of 1.65, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4,4a,5,6-hexahydro-1H-pyrrolo[2,3-h]isoquinoline is sourced from PubChem (CID 67544643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).