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

C8H16N2O — CID 163467441

IUPAC1-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)ethanol
SMILESCC(O)N1CC2CNCC2C1
InChIInChI=1S/C8H16N2O/c1-6(11)10-4-7-2-9-3-8(7)5-10/h6-9,11H,2-5H2,1H3
InChIKeyBTUJDKVGYARZIA-UHFFFAOYSA-N
MW156.23 g/mol
LogP-0.52
Rot. Bonds1

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

1-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)ethanol (PubChem CID 163467441) has the molecular formula C8H16N2O and a molecular weight of 156.23 g/mol. Its IUPAC name is 1-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)ethanol.

Molecular Properties

Compound Name1-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)ethanol
PubChem CID163467441
Molecular FormulaC8H16N2O
Molecular Weight156.23 g/mol
Exact Mass156.13
IUPAC Name1-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)ethanol
SMILESCC(O)N1CC2CNCC2C1
InChIInChI=1S/C8H16N2O/c1-6(11)10-4-7-2-9-3-8(7)5-10/h6-9,11H,2-5H2,1H3
InChIKeyBTUJDKVGYARZIA-UHFFFAOYSA-N
XLogP-0.52
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.23
LogP ≤ 5-0.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)ethanol with MolForge

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Related Compounds

1-Fluoro-3-{octahydropyrrolo[3,4-c]pyrrol-2-yl}propan-2-ol
CID 130769436
1-[(3aR,6aS)-octahydropyrrolo[3,4-c]pyrrol-2-yl]-3-fluoropropan-2-ol
CID 131090330
2-(Hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl)ethanol
CID 42614577
2-(2-Methoxyethyl)octahydropyrrolo[3,4-c]pyrrole
CID 60916037
2-[(3aS,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]ethanol
CID 96487318
(3aS,6aR)-5-(2-methoxyethyl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
CID 108124510
3-[(3aS,6aR)-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]propan-1-ol
CID 118534988
1-(2-Methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)ethanol
CID 126735777
3-[(3aS,6aR)-3a,6a-dimethyl-2,3,4,6-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]propan-1-ol;ethane
CID 142409451
Ethane;3-(2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)propan-1-ol
CID 144962724
(3aS,6aR)-5-[(3-methyloxetan-3-yl)methyl]-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole;ethane
CID 144962852
3-[(3aS,6aR)-3a,6a-dimethyl-2,3,4,6-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]propan-1-ol;ethane;methane;propane
CID 156720200

Frequently Asked Questions

What is the IUPAC name of 1-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)ethanol?
The IUPAC name of 1-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)ethanol (CID 163467441) is 1-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)ethanol.
What is the SMILES notation for 1-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)ethanol?
The canonical SMILES for 1-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)ethanol is CC(O)N1CC2CNCC2C1.
What is the InChIKey of 1-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)ethanol?
The InChIKey is BTUJDKVGYARZIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O/c1-6(11)10-4-7-2-9-3-8(7)5-10/h6-9,11H,2-5H2,1H3.
What are the key properties of 1-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)ethanol?
1-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)ethanol has a molecular weight of 156.23 g/mol, XLogP of -0.52, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)ethanol is sourced from PubChem (CID 163467441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).