(3aR,8aR,8bR)-3,3a,4,6,7,8,8a,8b-octahydrofuro[2,3-a]pyrrolizin-2-one

C9H13NO2 — CID 11991494

IUPAC(3aR,8aR,8bR)-3,3a,4,6,7,8,8a,8b-octahydrofuro[2,3-a]pyrrolizin-2-one
SMILESO=C1C[C@@H]2CN3CCC[C@@H]3[C@@H]2O1
InChIInChI=1S/C9H13NO2/c11-8-4-6-5-10-3-1-2-7(10)9(6)12-8/h6-7,9H,1-5H2/t6-,7-,9-/m1/s1
InChIKeyUEYDKTNHDQBTHW-ZXFLCMHBSA-N
MW167.21 g/mol
LogP0.40
Rot. Bonds

About (3aR,8aR,8bR)-3,3a,4,6,7,8,8a,8b-octahydrofuro[2,3-a]pyrrolizin-2-one

(3aR,8aR,8bR)-3,3a,4,6,7,8,8a,8b-octahydrofuro[2,3-a]pyrrolizin-2-one (PubChem CID 11991494) has the molecular formula C9H13NO2 and a molecular weight of 167.21 g/mol. Its IUPAC name is (3aR,8aR,8bR)-3,3a,4,6,7,8,8a,8b-octahydrofuro[2,3-a]pyrrolizin-2-one.

Molecular Properties

Compound Name(3aR,8aR,8bR)-3,3a,4,6,7,8,8a,8b-octahydrofuro[2,3-a]pyrrolizin-2-one
PubChem CID11991494
Molecular FormulaC9H13NO2
Molecular Weight167.21 g/mol
Exact Mass167.09
IUPAC Name(3aR,8aR,8bR)-3,3a,4,6,7,8,8a,8b-octahydrofuro[2,3-a]pyrrolizin-2-one
SMILESO=C1C[C@@H]2CN3CCC[C@@H]3[C@@H]2O1
InChIInChI=1S/C9H13NO2/c11-8-4-6-5-10-3-1-2-7(10)9(6)12-8/h6-7,9H,1-5H2/t6-,7-,9-/m1/s1
InChIKeyUEYDKTNHDQBTHW-ZXFLCMHBSA-N
XLogP0.40
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.21
LogP ≤ 50.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3aR,8aR,8bR)-3,3a,4,6,7,8,8a,8b-octahydrofuro[2,3-a]pyrrolizin-2-one?
The IUPAC name of (3aR,8aR,8bR)-3,3a,4,6,7,8,8a,8b-octahydrofuro[2,3-a]pyrrolizin-2-one (CID 11991494) is (3aR,8aR,8bR)-3,3a,4,6,7,8,8a,8b-octahydrofuro[2,3-a]pyrrolizin-2-one.
What is the SMILES notation for (3aR,8aR,8bR)-3,3a,4,6,7,8,8a,8b-octahydrofuro[2,3-a]pyrrolizin-2-one?
The canonical SMILES for (3aR,8aR,8bR)-3,3a,4,6,7,8,8a,8b-octahydrofuro[2,3-a]pyrrolizin-2-one is O=C1C[C@@H]2CN3CCC[C@@H]3[C@@H]2O1.
What is the InChIKey of (3aR,8aR,8bR)-3,3a,4,6,7,8,8a,8b-octahydrofuro[2,3-a]pyrrolizin-2-one?
The InChIKey is UEYDKTNHDQBTHW-ZXFLCMHBSA-N. The full InChI is InChI=1S/C9H13NO2/c11-8-4-6-5-10-3-1-2-7(10)9(6)12-8/h6-7,9H,1-5H2/t6-,7-,9-/m1/s1.
What are the key properties of (3aR,8aR,8bR)-3,3a,4,6,7,8,8a,8b-octahydrofuro[2,3-a]pyrrolizin-2-one?
(3aR,8aR,8bR)-3,3a,4,6,7,8,8a,8b-octahydrofuro[2,3-a]pyrrolizin-2-one has a molecular weight of 167.21 g/mol, XLogP of 0.40, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3aR,8aR,8bR)-3,3a,4,6,7,8,8a,8b-octahydrofuro[2,3-a]pyrrolizin-2-one is sourced from PubChem (CID 11991494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).