1,2,3,3a,4,4a,6,7-octahydropyrrolo[2,3-g]isoquinolin-5-one

C11H14N2O — CID 70550521

IUPAC1,2,3,3a,4,4a,6,7-octahydropyrrolo[2,3-g]isoquinolin-5-one
SMILESO=C1NCC=C2C=C3NCCC3CC12
InChIInChI=1S/C11H14N2O/c14-11-9-5-8-2-3-12-10(8)6-7(9)1-4-13-11/h1,6,8-9,12H,2-5H2,(H,13,14)
InChIKeyZHODZWZMGUSCTD-UHFFFAOYSA-N
MW190.25 g/mol
LogP0.56
Rot. Bonds

About 1,2,3,3a,4,4a,6,7-octahydropyrrolo[2,3-g]isoquinolin-5-one

1,2,3,3a,4,4a,6,7-octahydropyrrolo[2,3-g]isoquinolin-5-one (PubChem CID 70550521) has the molecular formula C11H14N2O and a molecular weight of 190.25 g/mol. Its IUPAC name is 1,2,3,3a,4,4a,6,7-octahydropyrrolo[2,3-g]isoquinolin-5-one.

Molecular Properties

Compound Name1,2,3,3a,4,4a,6,7-octahydropyrrolo[2,3-g]isoquinolin-5-one
PubChem CID70550521
Molecular FormulaC11H14N2O
Molecular Weight190.25 g/mol
Exact Mass190.11
IUPAC Name1,2,3,3a,4,4a,6,7-octahydropyrrolo[2,3-g]isoquinolin-5-one
SMILESO=C1NCC=C2C=C3NCCC3CC12
InChIInChI=1S/C11H14N2O/c14-11-9-5-8-2-3-12-10(8)6-7(9)1-4-13-11/h1,6,8-9,12H,2-5H2,(H,13,14)
InChIKeyZHODZWZMGUSCTD-UHFFFAOYSA-N
XLogP0.56
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.25
LogP ≤ 50.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1,2,3,3a,4,4a,6,7-octahydropyrrolo[2,3-g]isoquinolin-5-one 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 1,2,3,3a,4,4a,6,7-octahydropyrrolo[2,3-g]isoquinolin-5-one?
The IUPAC name of 1,2,3,3a,4,4a,6,7-octahydropyrrolo[2,3-g]isoquinolin-5-one (CID 70550521) is 1,2,3,3a,4,4a,6,7-octahydropyrrolo[2,3-g]isoquinolin-5-one.
What is the SMILES notation for 1,2,3,3a,4,4a,6,7-octahydropyrrolo[2,3-g]isoquinolin-5-one?
The canonical SMILES for 1,2,3,3a,4,4a,6,7-octahydropyrrolo[2,3-g]isoquinolin-5-one is O=C1NCC=C2C=C3NCCC3CC12.
What is the InChIKey of 1,2,3,3a,4,4a,6,7-octahydropyrrolo[2,3-g]isoquinolin-5-one?
The InChIKey is ZHODZWZMGUSCTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O/c14-11-9-5-8-2-3-12-10(8)6-7(9)1-4-13-11/h1,6,8-9,12H,2-5H2,(H,13,14).
What are the key properties of 1,2,3,3a,4,4a,6,7-octahydropyrrolo[2,3-g]isoquinolin-5-one?
1,2,3,3a,4,4a,6,7-octahydropyrrolo[2,3-g]isoquinolin-5-one has a molecular weight of 190.25 g/mol, XLogP of 0.56, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,3a,4,4a,6,7-octahydropyrrolo[2,3-g]isoquinolin-5-one is sourced from PubChem (CID 70550521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).