(3S,3aS,6aR)-2,3,3a,4,6,6a-hexahydro-1H-furo[3,4-b]pyrrol-3-ol

C6H11NO2 — CID 124547886

IUPAC(3S,3aS,6aR)-2,3,3a,4,6,6a-hexahydro-1H-furo[3,4-b]pyrrol-3-ol
SMILESO[C@@H]1CN[C@H]2COC[C@@H]12
InChIInChI=1S/C6H11NO2/c8-6-1-7-5-3-9-2-4(5)6/h4-8H,1-3H2/t4-,5+,6-/m1/s1
InChIKeyZKKAMNCENFWWKC-NGJCXOISSA-N
MW129.16 g/mol
LogP-1.03
Rot. Bonds

About (3S,3aS,6aR)-2,3,3a,4,6,6a-hexahydro-1H-furo[3,4-b]pyrrol-3-ol

(3S,3aS,6aR)-2,3,3a,4,6,6a-hexahydro-1H-furo[3,4-b]pyrrol-3-ol (PubChem CID 124547886) has the molecular formula C6H11NO2 and a molecular weight of 129.16 g/mol. Its IUPAC name is (3S,3aS,6aR)-2,3,3a,4,6,6a-hexahydro-1H-furo[3,4-b]pyrrol-3-ol.

Molecular Properties

Compound Name(3S,3aS,6aR)-2,3,3a,4,6,6a-hexahydro-1H-furo[3,4-b]pyrrol-3-ol
PubChem CID124547886
Molecular FormulaC6H11NO2
Molecular Weight129.16 g/mol
Exact Mass129.08
IUPAC Name(3S,3aS,6aR)-2,3,3a,4,6,6a-hexahydro-1H-furo[3,4-b]pyrrol-3-ol
SMILESO[C@@H]1CN[C@H]2COC[C@@H]12
InChIInChI=1S/C6H11NO2/c8-6-1-7-5-3-9-2-4(5)6/h4-8H,1-3H2/t4-,5+,6-/m1/s1
InChIKeyZKKAMNCENFWWKC-NGJCXOISSA-N
XLogP-1.03
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 ≤ 5-1.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3S,3aS,6aR)-2,3,3a,4,6,6a-hexahydro-1H-furo[3,4-b]pyrrol-3-ol?
The IUPAC name of (3S,3aS,6aR)-2,3,3a,4,6,6a-hexahydro-1H-furo[3,4-b]pyrrol-3-ol (CID 124547886) is (3S,3aS,6aR)-2,3,3a,4,6,6a-hexahydro-1H-furo[3,4-b]pyrrol-3-ol.
What is the SMILES notation for (3S,3aS,6aR)-2,3,3a,4,6,6a-hexahydro-1H-furo[3,4-b]pyrrol-3-ol?
The canonical SMILES for (3S,3aS,6aR)-2,3,3a,4,6,6a-hexahydro-1H-furo[3,4-b]pyrrol-3-ol is O[C@@H]1CN[C@H]2COC[C@@H]12.
What is the InChIKey of (3S,3aS,6aR)-2,3,3a,4,6,6a-hexahydro-1H-furo[3,4-b]pyrrol-3-ol?
The InChIKey is ZKKAMNCENFWWKC-NGJCXOISSA-N. The full InChI is InChI=1S/C6H11NO2/c8-6-1-7-5-3-9-2-4(5)6/h4-8H,1-3H2/t4-,5+,6-/m1/s1.
What are the key properties of (3S,3aS,6aR)-2,3,3a,4,6,6a-hexahydro-1H-furo[3,4-b]pyrrol-3-ol?
(3S,3aS,6aR)-2,3,3a,4,6,6a-hexahydro-1H-furo[3,4-b]pyrrol-3-ol has a molecular weight of 129.16 g/mol, XLogP of -1.03, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,3aS,6aR)-2,3,3a,4,6,6a-hexahydro-1H-furo[3,4-b]pyrrol-3-ol is sourced from PubChem (CID 124547886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).