3,5,5a,8,9,9a,10,10a-octahydropyrrolo[1,2-b]isoquinolin-10-ol

C12H17NO — CID 70207323

IUPAC3,5,5a,8,9,9a,10,10a-octahydropyrrolo[1,2-b]isoquinolin-10-ol
SMILESOC1C2CCC=CC2CN2CC=CC12
InChIInChI=1S/C12H17NO/c14-12-10-5-2-1-4-9(10)8-13-7-3-6-11(12)13/h1,3-4,6,9-12,14H,2,5,7-8H2
InChIKeyWGGFSSKIQWAEMO-UHFFFAOYSA-N
MW191.27 g/mol
LogP1.18
Rot. Bonds

About 3,5,5a,8,9,9a,10,10a-octahydropyrrolo[1,2-b]isoquinolin-10-ol

3,5,5a,8,9,9a,10,10a-octahydropyrrolo[1,2-b]isoquinolin-10-ol (PubChem CID 70207323) has the molecular formula C12H17NO and a molecular weight of 191.27 g/mol. Its IUPAC name is 3,5,5a,8,9,9a,10,10a-octahydropyrrolo[1,2-b]isoquinolin-10-ol.

Molecular Properties

Compound Name3,5,5a,8,9,9a,10,10a-octahydropyrrolo[1,2-b]isoquinolin-10-ol
PubChem CID70207323
Molecular FormulaC12H17NO
Molecular Weight191.27 g/mol
Exact Mass191.13
IUPAC Name3,5,5a,8,9,9a,10,10a-octahydropyrrolo[1,2-b]isoquinolin-10-ol
SMILESOC1C2CCC=CC2CN2CC=CC12
InChIInChI=1S/C12H17NO/c14-12-10-5-2-1-4-9(10)8-13-7-3-6-11(12)13/h1,3-4,6,9-12,14H,2,5,7-8H2
InChIKeyWGGFSSKIQWAEMO-UHFFFAOYSA-N
XLogP1.18
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.27
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3,5,5a,8,9,9a,10,10a-octahydropyrrolo[1,2-b]isoquinolin-10-ol?
The IUPAC name of 3,5,5a,8,9,9a,10,10a-octahydropyrrolo[1,2-b]isoquinolin-10-ol (CID 70207323) is 3,5,5a,8,9,9a,10,10a-octahydropyrrolo[1,2-b]isoquinolin-10-ol.
What is the SMILES notation for 3,5,5a,8,9,9a,10,10a-octahydropyrrolo[1,2-b]isoquinolin-10-ol?
The canonical SMILES for 3,5,5a,8,9,9a,10,10a-octahydropyrrolo[1,2-b]isoquinolin-10-ol is OC1C2CCC=CC2CN2CC=CC12.
What is the InChIKey of 3,5,5a,8,9,9a,10,10a-octahydropyrrolo[1,2-b]isoquinolin-10-ol?
The InChIKey is WGGFSSKIQWAEMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO/c14-12-10-5-2-1-4-9(10)8-13-7-3-6-11(12)13/h1,3-4,6,9-12,14H,2,5,7-8H2.
What are the key properties of 3,5,5a,8,9,9a,10,10a-octahydropyrrolo[1,2-b]isoquinolin-10-ol?
3,5,5a,8,9,9a,10,10a-octahydropyrrolo[1,2-b]isoquinolin-10-ol has a molecular weight of 191.27 g/mol, XLogP of 1.18, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5,5a,8,9,9a,10,10a-octahydropyrrolo[1,2-b]isoquinolin-10-ol is sourced from PubChem (CID 70207323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).