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

C9H18N2O — CID 121185275

IUPAC2-(2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)ethanol
SMILESCN1CC2CN(CCO)CC2C1
InChIInChI=1S/C9H18N2O/c1-10-4-8-6-11(2-3-12)7-9(8)5-10/h8-9,12H,2-7H2,1H3
InChIKeyWUXFIYYFVLQGAO-UHFFFAOYSA-N
MW170.26 g/mol
LogP-0.53
Rot. Bonds2

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

2-(2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)ethanol (PubChem CID 121185275) has the molecular formula C9H18N2O and a molecular weight of 170.26 g/mol. Its IUPAC name is 2-(2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)ethanol.

Molecular Properties

Compound Name2-(2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)ethanol
PubChem CID121185275
Molecular FormulaC9H18N2O
Molecular Weight170.26 g/mol
Exact Mass170.14
IUPAC Name2-(2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)ethanol
SMILESCN1CC2CN(CCO)CC2C1
InChIInChI=1S/C9H18N2O/c1-10-4-8-6-11(2-3-12)7-9(8)5-10/h8-9,12H,2-7H2,1H3
InChIKeyWUXFIYYFVLQGAO-UHFFFAOYSA-N
XLogP-0.53
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.26
LogP ≤ 5-0.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-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-(2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)ethanol?
The IUPAC name of 2-(2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)ethanol (CID 121185275) is 2-(2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)ethanol.
What is the SMILES notation for 2-(2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)ethanol?
The canonical SMILES for 2-(2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)ethanol is CN1CC2CN(CCO)CC2C1.
What is the InChIKey of 2-(2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)ethanol?
The InChIKey is WUXFIYYFVLQGAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O/c1-10-4-8-6-11(2-3-12)7-9(8)5-10/h8-9,12H,2-7H2,1H3.
What are the key properties of 2-(2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)ethanol?
2-(2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)ethanol has a molecular weight of 170.26 g/mol, XLogP of -0.53, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)ethanol is sourced from PubChem (CID 121185275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).