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

C9H18N2O — CID 126735777

IUPAC1-(2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)ethanol
SMILESCC(O)N1CC2CN(C)CC2C1
InChIInChI=1S/C9H18N2O/c1-7(12)11-5-8-3-10(2)4-9(8)6-11/h7-9,12H,3-6H2,1-2H3
InChIKeyWRZGYFLJEPQVPQ-UHFFFAOYSA-N
MW170.26 g/mol
LogP-0.18
Rot. Bonds1

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

1-(2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)ethanol (PubChem CID 126735777) has the molecular formula C9H18N2O and a molecular weight of 170.26 g/mol. Its IUPAC name is 1-(2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)ethanol.

Molecular Properties

Compound Name1-(2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)ethanol
PubChem CID126735777
Molecular FormulaC9H18N2O
Molecular Weight170.26 g/mol
Exact Mass170.14
IUPAC Name1-(2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)ethanol
SMILESCC(O)N1CC2CN(C)CC2C1
InChIInChI=1S/C9H18N2O/c1-7(12)11-5-8-3-10(2)4-9(8)6-11/h7-9,12H,3-6H2,1-2H3
InChIKeyWRZGYFLJEPQVPQ-UHFFFAOYSA-N
XLogP-0.18
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.26
LogP ≤ 5-0.18
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
1,3-Bis(1-ethyl-3,4-dimethylpyrrolidin-1-ium-1-yl)propan-1-ol
CID 118511781
(3aS,6aR)-5-tert-butyl-2-(3-methoxypropyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole
CID 118531447
3-[(3aS,6aR)-5-tert-butyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]propan-1-ol
CID 118531468
4-[(3aS,6aR)-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-2-methylbutan-2-ol
CID 118534900
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
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
(3aS,6aR)-5-(2-methoxyethyl)-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole
CID 133617373
3-(2,3a,6a-Trimethyl-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrol-5-yl)propan-1-ol;ethane
CID 142385991
Ethane;5-(3-methoxypropyl)-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole
CID 144962679

Frequently Asked Questions

What is the IUPAC name of 1-(2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)ethanol?
The IUPAC name of 1-(2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)ethanol (CID 126735777) is 1-(2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)ethanol.
What is the SMILES notation for 1-(2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)ethanol?
The canonical SMILES for 1-(2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)ethanol is CC(O)N1CC2CN(C)CC2C1.
What is the InChIKey of 1-(2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)ethanol?
The InChIKey is WRZGYFLJEPQVPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O/c1-7(12)11-5-8-3-10(2)4-9(8)6-11/h7-9,12H,3-6H2,1-2H3.
What are the key properties of 1-(2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)ethanol?
1-(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 -0.18, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)ethanol is sourced from PubChem (CID 126735777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).