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

C7H13NO2 — CID 55286288

IUPAC(3R,3aR,6S,6aR)-6-methyl-3,3a,4,5,6,6a-hexahydro-2H-furo[3,2-b]pyrrol-3-ol
SMILESC[C@H]1CN[C@H]2[C@@H]1OC[C@@H]2O
InChIInChI=1S/C7H13NO2/c1-4-2-8-6-5(9)3-10-7(4)6/h4-9H,2-3H2,1H3/t4-,5-,6+,7+/m0/s1
InChIKeyAKFILUJFIKAZRA-VWDOSNQTSA-N
MW143.19 g/mol
LogP-0.65
Rot. Bonds

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

(3R,3aR,6S,6aR)-6-methyl-3,3a,4,5,6,6a-hexahydro-2H-furo[3,2-b]pyrrol-3-ol (PubChem CID 55286288) has the molecular formula C7H13NO2 and a molecular weight of 143.19 g/mol. Its IUPAC name is (3R,3aR,6S,6aR)-6-methyl-3,3a,4,5,6,6a-hexahydro-2H-furo[3,2-b]pyrrol-3-ol.

Molecular Properties

Compound Name(3R,3aR,6S,6aR)-6-methyl-3,3a,4,5,6,6a-hexahydro-2H-furo[3,2-b]pyrrol-3-ol
PubChem CID55286288
Molecular FormulaC7H13NO2
Molecular Weight143.19 g/mol
Exact Mass143.09
IUPAC Name(3R,3aR,6S,6aR)-6-methyl-3,3a,4,5,6,6a-hexahydro-2H-furo[3,2-b]pyrrol-3-ol
SMILESC[C@H]1CN[C@H]2[C@@H]1OC[C@@H]2O
InChIInChI=1S/C7H13NO2/c1-4-2-8-6-5(9)3-10-7(4)6/h4-9H,2-3H2,1H3/t4-,5-,6+,7+/m0/s1
InChIKeyAKFILUJFIKAZRA-VWDOSNQTSA-N
XLogP-0.65
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.19
LogP ≤ 5-0.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3R,3aR,6S,6aR)-6-methyl-3,3a,4,5,6,6a-hexahydro-2H-furo[3,2-b]pyrrol-3-ol?
The IUPAC name of (3R,3aR,6S,6aR)-6-methyl-3,3a,4,5,6,6a-hexahydro-2H-furo[3,2-b]pyrrol-3-ol (CID 55286288) is (3R,3aR,6S,6aR)-6-methyl-3,3a,4,5,6,6a-hexahydro-2H-furo[3,2-b]pyrrol-3-ol.
What is the SMILES notation for (3R,3aR,6S,6aR)-6-methyl-3,3a,4,5,6,6a-hexahydro-2H-furo[3,2-b]pyrrol-3-ol?
The canonical SMILES for (3R,3aR,6S,6aR)-6-methyl-3,3a,4,5,6,6a-hexahydro-2H-furo[3,2-b]pyrrol-3-ol is C[C@H]1CN[C@H]2[C@@H]1OC[C@@H]2O.
What is the InChIKey of (3R,3aR,6S,6aR)-6-methyl-3,3a,4,5,6,6a-hexahydro-2H-furo[3,2-b]pyrrol-3-ol?
The InChIKey is AKFILUJFIKAZRA-VWDOSNQTSA-N. The full InChI is InChI=1S/C7H13NO2/c1-4-2-8-6-5(9)3-10-7(4)6/h4-9H,2-3H2,1H3/t4-,5-,6+,7+/m0/s1.
What are the key properties of (3R,3aR,6S,6aR)-6-methyl-3,3a,4,5,6,6a-hexahydro-2H-furo[3,2-b]pyrrol-3-ol?
(3R,3aR,6S,6aR)-6-methyl-3,3a,4,5,6,6a-hexahydro-2H-furo[3,2-b]pyrrol-3-ol has a molecular weight of 143.19 g/mol, XLogP of -0.65, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,3aR,6S,6aR)-6-methyl-3,3a,4,5,6,6a-hexahydro-2H-furo[3,2-b]pyrrol-3-ol is sourced from PubChem (CID 55286288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).