3,3a,4,5,6,6a-hexahydro-2H-furo[3,2-b]pyrrol-3-ol

C6H11NO2 — CID 59791651

IUPAC3,3a,4,5,6,6a-hexahydro-2H-furo[3,2-b]pyrrol-3-ol
SMILESOC1COC2CCNC12
InChIInChI=1S/C6H11NO2/c8-4-3-9-5-1-2-7-6(4)5/h4-8H,1-3H2
InChIKeyCDMLEMBRAYSSJQ-UHFFFAOYSA-N
MW129.16 g/mol
LogP-0.89
Rot. Bonds

About 3,3a,4,5,6,6a-hexahydro-2H-furo[3,2-b]pyrrol-3-ol

3,3a,4,5,6,6a-hexahydro-2H-furo[3,2-b]pyrrol-3-ol (PubChem CID 59791651) has the molecular formula C6H11NO2 and a molecular weight of 129.16 g/mol. Its IUPAC name is 3,3a,4,5,6,6a-hexahydro-2H-furo[3,2-b]pyrrol-3-ol.

Molecular Properties

Compound Name3,3a,4,5,6,6a-hexahydro-2H-furo[3,2-b]pyrrol-3-ol
PubChem CID59791651
Molecular FormulaC6H11NO2
Molecular Weight129.16 g/mol
Exact Mass129.08
IUPAC Name3,3a,4,5,6,6a-hexahydro-2H-furo[3,2-b]pyrrol-3-ol
SMILESOC1COC2CCNC12
InChIInChI=1S/C6H11NO2/c8-4-3-9-5-1-2-7-6(4)5/h4-8H,1-3H2
InChIKeyCDMLEMBRAYSSJQ-UHFFFAOYSA-N
XLogP-0.89
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.16
LogP ≤ 5-0.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,3a,4,5,6,6a-hexahydro-2H-furo[3,2-b]pyrrol-3-ol?
The IUPAC name of 3,3a,4,5,6,6a-hexahydro-2H-furo[3,2-b]pyrrol-3-ol (CID 59791651) is 3,3a,4,5,6,6a-hexahydro-2H-furo[3,2-b]pyrrol-3-ol.
What is the SMILES notation for 3,3a,4,5,6,6a-hexahydro-2H-furo[3,2-b]pyrrol-3-ol?
The canonical SMILES for 3,3a,4,5,6,6a-hexahydro-2H-furo[3,2-b]pyrrol-3-ol is OC1COC2CCNC12.
What is the InChIKey of 3,3a,4,5,6,6a-hexahydro-2H-furo[3,2-b]pyrrol-3-ol?
The InChIKey is CDMLEMBRAYSSJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO2/c8-4-3-9-5-1-2-7-6(4)5/h4-8H,1-3H2.
What are the key properties of 3,3a,4,5,6,6a-hexahydro-2H-furo[3,2-b]pyrrol-3-ol?
3,3a,4,5,6,6a-hexahydro-2H-furo[3,2-b]pyrrol-3-ol has a molecular weight of 129.16 g/mol, XLogP of -0.89, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3a,4,5,6,6a-hexahydro-2H-furo[3,2-b]pyrrol-3-ol is sourced from PubChem (CID 59791651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).