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

C8H15NO2 — CID 129385948

IUPAC2-[(3aR,6aS)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrol-5-yl]ethanol
SMILESOCCN1C[C@H]2COC[C@H]2C1
InChIInChI=1S/C8H15NO2/c10-2-1-9-3-7-5-11-6-8(7)4-9/h7-8,10H,1-6H2/t7-,8+
InChIKeyUFTKCJZBYVOJKT-OCAPTIKFSA-N
MW157.21 g/mol
LogP-0.44
Rot. Bonds2

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

2-[(3aR,6aS)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrol-5-yl]ethanol (PubChem CID 129385948) has the molecular formula C8H15NO2 and a molecular weight of 157.21 g/mol. Its IUPAC name is 2-[(3aR,6aS)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrol-5-yl]ethanol.

Molecular Properties

Compound Name2-[(3aR,6aS)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrol-5-yl]ethanol
PubChem CID129385948
Molecular FormulaC8H15NO2
Molecular Weight157.21 g/mol
Exact Mass157.11
IUPAC Name2-[(3aR,6aS)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrol-5-yl]ethanol
SMILESOCCN1C[C@H]2COC[C@H]2C1
InChIInChI=1S/C8H15NO2/c10-2-1-9-3-7-5-11-6-8(7)4-9/h7-8,10H,1-6H2/t7-,8+
InChIKeyUFTKCJZBYVOJKT-OCAPTIKFSA-N
XLogP-0.44
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.21
LogP ≤ 5-0.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(3aR,6aS)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrol-5-yl]ethanol?
The IUPAC name of 2-[(3aR,6aS)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrol-5-yl]ethanol (CID 129385948) is 2-[(3aR,6aS)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrol-5-yl]ethanol.
What is the SMILES notation for 2-[(3aR,6aS)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrol-5-yl]ethanol?
The canonical SMILES for 2-[(3aR,6aS)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrol-5-yl]ethanol is OCCN1C[C@H]2COC[C@H]2C1.
What is the InChIKey of 2-[(3aR,6aS)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrol-5-yl]ethanol?
The InChIKey is UFTKCJZBYVOJKT-OCAPTIKFSA-N. The full InChI is InChI=1S/C8H15NO2/c10-2-1-9-3-7-5-11-6-8(7)4-9/h7-8,10H,1-6H2/t7-,8+.
What are the key properties of 2-[(3aR,6aS)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrol-5-yl]ethanol?
2-[(3aR,6aS)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrol-5-yl]ethanol has a molecular weight of 157.21 g/mol, XLogP of -0.44, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3aR,6aS)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrol-5-yl]ethanol is sourced from PubChem (CID 129385948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).