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

C10H20N2O — CID 131201264

IUPAC2-(2-ethyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)ethanol
SMILESCCN1CC2CN(CCO)CC2C1
InChIInChI=1S/C10H20N2O/c1-2-11-5-9-7-12(3-4-13)8-10(9)6-11/h9-10,13H,2-8H2,1H3
InChIKeyCFDPLGORKCVPLU-UHFFFAOYSA-N
MW184.28 g/mol
LogP-0.14
Rot. Bonds3

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

2-(2-ethyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)ethanol (PubChem CID 131201264) has the molecular formula C10H20N2O and a molecular weight of 184.28 g/mol. Its IUPAC name is 2-(2-ethyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)ethanol.

Molecular Properties

Compound Name2-(2-ethyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)ethanol
PubChem CID131201264
Molecular FormulaC10H20N2O
Molecular Weight184.28 g/mol
Exact Mass184.16
IUPAC Name2-(2-ethyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)ethanol
SMILESCCN1CC2CN(CCO)CC2C1
InChIInChI=1S/C10H20N2O/c1-2-11-5-9-7-12(3-4-13)8-10(9)6-11/h9-10,13H,2-8H2,1H3
InChIKeyCFDPLGORKCVPLU-UHFFFAOYSA-N
XLogP-0.14
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 5-0.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(2-ethyl-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

Related Compounds

2-(5-(2,2,2-trifluoroethyl)hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl)ethanol
CID 121185704
2-(Hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl)ethanol
CID 42614577
2-(Methyl((1-methylpyrrolidin-3-yl)methyl)amino)ethanol
CID 63273686
2-[(3aS,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]ethanol
CID 96487318
3-[(3aS,6aR)-5-tert-butyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]propan-1-ol
CID 118531468
3-[(3aS,6aR)-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]propan-1-ol
CID 118534988
(3aR,6aS)-5-(3-methoxypropyl)-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole
CID 118534994
2-(2-Methoxyethyl)-5-methyloctahydropyrrolo[3,4-c]pyrrole
CID 121185276
2-(2-Hydroxyethyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carboxylic acid
CID 124092130
3-[(3aS,6aR)-5-propan-2-yl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]propan-1-ol
CID 126724942
1-(2-Methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)ethanol
CID 126735777
(3aS,6aR)-5-(2-methoxyethyl)-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole
CID 133617373

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)ethanol?
The IUPAC name of 2-(2-ethyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)ethanol (CID 131201264) is 2-(2-ethyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)ethanol.
What is the SMILES notation for 2-(2-ethyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)ethanol?
The canonical SMILES for 2-(2-ethyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)ethanol is CCN1CC2CN(CCO)CC2C1.
What is the InChIKey of 2-(2-ethyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)ethanol?
The InChIKey is CFDPLGORKCVPLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O/c1-2-11-5-9-7-12(3-4-13)8-10(9)6-11/h9-10,13H,2-8H2,1H3.
What are the key properties of 2-(2-ethyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)ethanol?
2-(2-ethyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)ethanol has a molecular weight of 184.28 g/mol, XLogP of -0.14, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)ethanol is sourced from PubChem (CID 131201264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).