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

C9H18N2O — CID 130637828

IUPAC2-[(3aS,6aR)-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]ethanol
SMILESCN1C[C@@H]2CN(CCO)C[C@@H]2C1
InChIInChI=1S/C9H18N2O/c1-10-4-8-6-11(2-3-12)7-9(8)5-10/h8-9,12H,2-7H2,1H3/t8-,9+
InChIKeyWUXFIYYFVLQGAO-DTORHVGOSA-N
MW170.26 g/mol
LogP-0.53
Rot. Bonds2

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

2-[(3aS,6aR)-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]ethanol (PubChem CID 130637828) has the molecular formula C9H18N2O and a molecular weight of 170.26 g/mol. Its IUPAC name is 2-[(3aS,6aR)-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]ethanol.

Molecular Properties

Compound Name2-[(3aS,6aR)-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]ethanol
PubChem CID130637828
Molecular FormulaC9H18N2O
Molecular Weight170.26 g/mol
Exact Mass170.14
IUPAC Name2-[(3aS,6aR)-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]ethanol
SMILESCN1C[C@@H]2CN(CCO)C[C@@H]2C1
InChIInChI=1S/C9H18N2O/c1-10-4-8-6-11(2-3-12)7-9(8)5-10/h8-9,12H,2-7H2,1H3/t8-,9+
InChIKeyWUXFIYYFVLQGAO-DTORHVGOSA-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

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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-[(3aS,6aR)-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]ethanol?
The IUPAC name of 2-[(3aS,6aR)-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]ethanol (CID 130637828) is 2-[(3aS,6aR)-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]ethanol.
What is the SMILES notation for 2-[(3aS,6aR)-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]ethanol?
The canonical SMILES for 2-[(3aS,6aR)-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]ethanol is CN1C[C@@H]2CN(CCO)C[C@@H]2C1.
What is the InChIKey of 2-[(3aS,6aR)-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]ethanol?
The InChIKey is WUXFIYYFVLQGAO-DTORHVGOSA-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/t8-,9+.
What are the key properties of 2-[(3aS,6aR)-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]ethanol?
2-[(3aS,6aR)-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-[(3aS,6aR)-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]ethanol is sourced from PubChem (CID 130637828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).