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

C12H19NO2 — CID 11991551

IUPAC(3aR,4S,8aR,8bR)-4-propyl-3,3a,4,6,7,8,8a,8b-octahydrofuro[2,3-a]pyrrolizin-2-one
SMILESCCC[C@H]1[C@H]2CC(=O)O[C@H]2[C@H]2CCCN21
InChIInChI=1S/C12H19NO2/c1-2-4-9-8-7-11(14)15-12(8)10-5-3-6-13(9)10/h8-10,12H,2-7H2,1H3/t8-,9+,10-,12-/m1/s1
InChIKeyOUELSTDGTVEZBN-DTHBNOIPSA-N
MW209.29 g/mol
LogP1.56
Rot. Bonds2

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

(3aR,4S,8aR,8bR)-4-propyl-3,3a,4,6,7,8,8a,8b-octahydrofuro[2,3-a]pyrrolizin-2-one (PubChem CID 11991551) has the molecular formula C12H19NO2 and a molecular weight of 209.29 g/mol. Its IUPAC name is (3aR,4S,8aR,8bR)-4-propyl-3,3a,4,6,7,8,8a,8b-octahydrofuro[2,3-a]pyrrolizin-2-one.

Molecular Properties

Compound Name(3aR,4S,8aR,8bR)-4-propyl-3,3a,4,6,7,8,8a,8b-octahydrofuro[2,3-a]pyrrolizin-2-one
PubChem CID11991551
Molecular FormulaC12H19NO2
Molecular Weight209.29 g/mol
Exact Mass209.14
IUPAC Name(3aR,4S,8aR,8bR)-4-propyl-3,3a,4,6,7,8,8a,8b-octahydrofuro[2,3-a]pyrrolizin-2-one
SMILESCCC[C@H]1[C@H]2CC(=O)O[C@H]2[C@H]2CCCN21
InChIInChI=1S/C12H19NO2/c1-2-4-9-8-7-11(14)15-12(8)10-5-3-6-13(9)10/h8-10,12H,2-7H2,1H3/t8-,9+,10-,12-/m1/s1
InChIKeyOUELSTDGTVEZBN-DTHBNOIPSA-N
XLogP1.56
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 51.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3aR,4S,8aR,8bR)-4-propyl-3,3a,4,6,7,8,8a,8b-octahydrofuro[2,3-a]pyrrolizin-2-one?
The IUPAC name of (3aR,4S,8aR,8bR)-4-propyl-3,3a,4,6,7,8,8a,8b-octahydrofuro[2,3-a]pyrrolizin-2-one (CID 11991551) is (3aR,4S,8aR,8bR)-4-propyl-3,3a,4,6,7,8,8a,8b-octahydrofuro[2,3-a]pyrrolizin-2-one.
What is the SMILES notation for (3aR,4S,8aR,8bR)-4-propyl-3,3a,4,6,7,8,8a,8b-octahydrofuro[2,3-a]pyrrolizin-2-one?
The canonical SMILES for (3aR,4S,8aR,8bR)-4-propyl-3,3a,4,6,7,8,8a,8b-octahydrofuro[2,3-a]pyrrolizin-2-one is CCC[C@H]1[C@H]2CC(=O)O[C@H]2[C@H]2CCCN21.
What is the InChIKey of (3aR,4S,8aR,8bR)-4-propyl-3,3a,4,6,7,8,8a,8b-octahydrofuro[2,3-a]pyrrolizin-2-one?
The InChIKey is OUELSTDGTVEZBN-DTHBNOIPSA-N. The full InChI is InChI=1S/C12H19NO2/c1-2-4-9-8-7-11(14)15-12(8)10-5-3-6-13(9)10/h8-10,12H,2-7H2,1H3/t8-,9+,10-,12-/m1/s1.
What are the key properties of (3aR,4S,8aR,8bR)-4-propyl-3,3a,4,6,7,8,8a,8b-octahydrofuro[2,3-a]pyrrolizin-2-one?
(3aR,4S,8aR,8bR)-4-propyl-3,3a,4,6,7,8,8a,8b-octahydrofuro[2,3-a]pyrrolizin-2-one has a molecular weight of 209.29 g/mol, XLogP of 1.56, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3aR,4S,8aR,8bR)-4-propyl-3,3a,4,6,7,8,8a,8b-octahydrofuro[2,3-a]pyrrolizin-2-one is sourced from PubChem (CID 11991551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).