2-(1,2,3,3a,4,5,6,6a-octahydropyrrolo[3,4-c]pyrrol-4-yl)ethanol

C8H16N2O — CID 91022106

IUPAC2-(1,2,3,3a,4,5,6,6a-octahydropyrrolo[3,4-c]pyrrol-4-yl)ethanol
SMILESOCCC1NCC2CNCC21
InChIInChI=1S/C8H16N2O/c11-2-1-8-7-5-9-3-6(7)4-10-8/h6-11H,1-5H2
InChIKeyZCURSVIHOBJFNQ-UHFFFAOYSA-N
MW156.23 g/mol
LogP-0.82
Rot. Bonds2

About 2-(1,2,3,3a,4,5,6,6a-octahydropyrrolo[3,4-c]pyrrol-4-yl)ethanol

2-(1,2,3,3a,4,5,6,6a-octahydropyrrolo[3,4-c]pyrrol-4-yl)ethanol (PubChem CID 91022106) has the molecular formula C8H16N2O and a molecular weight of 156.23 g/mol. Its IUPAC name is 2-(1,2,3,3a,4,5,6,6a-octahydropyrrolo[3,4-c]pyrrol-4-yl)ethanol.

Molecular Properties

Compound Name2-(1,2,3,3a,4,5,6,6a-octahydropyrrolo[3,4-c]pyrrol-4-yl)ethanol
PubChem CID91022106
Molecular FormulaC8H16N2O
Molecular Weight156.23 g/mol
Exact Mass156.13
IUPAC Name2-(1,2,3,3a,4,5,6,6a-octahydropyrrolo[3,4-c]pyrrol-4-yl)ethanol
SMILESOCCC1NCC2CNCC21
InChIInChI=1S/C8H16N2O/c11-2-1-8-7-5-9-3-6(7)4-10-8/h6-11H,1-5H2
InChIKeyZCURSVIHOBJFNQ-UHFFFAOYSA-N
XLogP-0.82
TPSA44.29 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.23
LogP ≤ 5-0.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 2-(1,2,3,3a,4,5,6,6a-octahydropyrrolo[3,4-c]pyrrol-4-yl)ethanol 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-(1,2,3,3a,4,5,6,6a-octahydropyrrolo[3,4-c]pyrrol-4-yl)ethanol?
The IUPAC name of 2-(1,2,3,3a,4,5,6,6a-octahydropyrrolo[3,4-c]pyrrol-4-yl)ethanol (CID 91022106) is 2-(1,2,3,3a,4,5,6,6a-octahydropyrrolo[3,4-c]pyrrol-4-yl)ethanol.
What is the SMILES notation for 2-(1,2,3,3a,4,5,6,6a-octahydropyrrolo[3,4-c]pyrrol-4-yl)ethanol?
The canonical SMILES for 2-(1,2,3,3a,4,5,6,6a-octahydropyrrolo[3,4-c]pyrrol-4-yl)ethanol is OCCC1NCC2CNCC21.
What is the InChIKey of 2-(1,2,3,3a,4,5,6,6a-octahydropyrrolo[3,4-c]pyrrol-4-yl)ethanol?
The InChIKey is ZCURSVIHOBJFNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O/c11-2-1-8-7-5-9-3-6(7)4-10-8/h6-11H,1-5H2.
What are the key properties of 2-(1,2,3,3a,4,5,6,6a-octahydropyrrolo[3,4-c]pyrrol-4-yl)ethanol?
2-(1,2,3,3a,4,5,6,6a-octahydropyrrolo[3,4-c]pyrrol-4-yl)ethanol has a molecular weight of 156.23 g/mol, XLogP of -0.82, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,2,3,3a,4,5,6,6a-octahydropyrrolo[3,4-c]pyrrol-4-yl)ethanol is sourced from PubChem (CID 91022106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).