(3aR,6R,6aS)-3,3a,4,5,6,6a-hexahydro-2H-furo[3,2-b]pyrrol-6-ol

C6H11NO2 — CID 147060440

IUPAC(3aR,6R,6aS)-3,3a,4,5,6,6a-hexahydro-2H-furo[3,2-b]pyrrol-6-ol
SMILESO[C@@H]1CN[C@@H]2CCO[C@H]12
InChIInChI=1S/C6H11NO2/c8-5-3-7-4-1-2-9-6(4)5/h4-8H,1-3H2/t4-,5-,6+/m1/s1
InChIKeyBDBHRSHPKBGMJX-PBXRRBTRSA-N
MW129.16 g/mol
LogP-0.89
Rot. Bonds

About (3aR,6R,6aS)-3,3a,4,5,6,6a-hexahydro-2H-furo[3,2-b]pyrrol-6-ol

(3aR,6R,6aS)-3,3a,4,5,6,6a-hexahydro-2H-furo[3,2-b]pyrrol-6-ol (PubChem CID 147060440) has the molecular formula C6H11NO2 and a molecular weight of 129.16 g/mol. Its IUPAC name is (3aR,6R,6aS)-3,3a,4,5,6,6a-hexahydro-2H-furo[3,2-b]pyrrol-6-ol.

Molecular Properties

Compound Name(3aR,6R,6aS)-3,3a,4,5,6,6a-hexahydro-2H-furo[3,2-b]pyrrol-6-ol
PubChem CID147060440
Molecular FormulaC6H11NO2
Molecular Weight129.16 g/mol
Exact Mass129.08
IUPAC Name(3aR,6R,6aS)-3,3a,4,5,6,6a-hexahydro-2H-furo[3,2-b]pyrrol-6-ol
SMILESO[C@@H]1CN[C@@H]2CCO[C@H]12
InChIInChI=1S/C6H11NO2/c8-5-3-7-4-1-2-9-6(4)5/h4-8H,1-3H2/t4-,5-,6+/m1/s1
InChIKeyBDBHRSHPKBGMJX-PBXRRBTRSA-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

Analyze (3aR,6R,6aS)-3,3a,4,5,6,6a-hexahydro-2H-furo[3,2-b]pyrrol-6-ol with MolForge

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Related Compounds

2-oxa-6-azabicyclo[3.2.0]heptane
CID 18923028
oxetan-2-ol
CID 175273147
2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-ol
CID 15934530
(3R,3aR,6aS)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[b]pyrrol-3-ol
CID 178195066
1,2,3,3a,4,5,6,6a-octahydrocyclopenta[b]pyrrol-3-ol
CID 83913910
(3aS,6R,6aS)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-ol
CID 89160443
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CID 14778197
5-(oxan-2-yl)pyrrolidin-3-ol
CID 164650303
cyclohexane-1,4-diol
CID 11162
(1R,2S,6S,8R,9S)-3,7-dioxatricyclo[6.3.0.02,6]undecan-9-ol
CID 99944902
3,4-dihydroxyoxane-2-carbonitrile;methanol
CID 144963344
(1S,2R,6S,8S,9R)-3,7-dioxatricyclo[6.3.0.02,6]undecan-9-ol
CID 129407476

Frequently Asked Questions

What is the IUPAC name of (3aR,6R,6aS)-3,3a,4,5,6,6a-hexahydro-2H-furo[3,2-b]pyrrol-6-ol?
The IUPAC name of (3aR,6R,6aS)-3,3a,4,5,6,6a-hexahydro-2H-furo[3,2-b]pyrrol-6-ol (CID 147060440) is (3aR,6R,6aS)-3,3a,4,5,6,6a-hexahydro-2H-furo[3,2-b]pyrrol-6-ol.
What is the SMILES notation for (3aR,6R,6aS)-3,3a,4,5,6,6a-hexahydro-2H-furo[3,2-b]pyrrol-6-ol?
The canonical SMILES for (3aR,6R,6aS)-3,3a,4,5,6,6a-hexahydro-2H-furo[3,2-b]pyrrol-6-ol is O[C@@H]1CN[C@@H]2CCO[C@H]12.
What is the InChIKey of (3aR,6R,6aS)-3,3a,4,5,6,6a-hexahydro-2H-furo[3,2-b]pyrrol-6-ol?
The InChIKey is BDBHRSHPKBGMJX-PBXRRBTRSA-N. The full InChI is InChI=1S/C6H11NO2/c8-5-3-7-4-1-2-9-6(4)5/h4-8H,1-3H2/t4-,5-,6+/m1/s1.
What are the key properties of (3aR,6R,6aS)-3,3a,4,5,6,6a-hexahydro-2H-furo[3,2-b]pyrrol-6-ol?
(3aR,6R,6aS)-3,3a,4,5,6,6a-hexahydro-2H-furo[3,2-b]pyrrol-6-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 (3aR,6R,6aS)-3,3a,4,5,6,6a-hexahydro-2H-furo[3,2-b]pyrrol-6-ol is sourced from PubChem (CID 147060440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).