(3R,3aR,6aS)-3-propyl-3,3a,4,5,6,6a-hexahydrofuro[3,2-b]pyrrol-2-one

C9H15NO2 — CID 10954708

IUPAC(3R,3aR,6aS)-3-propyl-3,3a,4,5,6,6a-hexahydrofuro[3,2-b]pyrrol-2-one
SMILESCCC[C@H]1C(=O)O[C@H]2CCN[C@@H]21
InChIInChI=1S/C9H15NO2/c1-2-3-6-8-7(4-5-10-8)12-9(6)11/h6-8,10H,2-5H2,1H3/t6-,7+,8-/m1/s1
InChIKeyPLKIGWFTMCOTBG-GJMOJQLCSA-N
MW169.22 g/mol
LogP0.69
Rot. Bonds2

About (3R,3aR,6aS)-3-propyl-3,3a,4,5,6,6a-hexahydrofuro[3,2-b]pyrrol-2-one

(3R,3aR,6aS)-3-propyl-3,3a,4,5,6,6a-hexahydrofuro[3,2-b]pyrrol-2-one (PubChem CID 10954708) has the molecular formula C9H15NO2 and a molecular weight of 169.22 g/mol. Its IUPAC name is (3R,3aR,6aS)-3-propyl-3,3a,4,5,6,6a-hexahydrofuro[3,2-b]pyrrol-2-one.

Molecular Properties

Compound Name(3R,3aR,6aS)-3-propyl-3,3a,4,5,6,6a-hexahydrofuro[3,2-b]pyrrol-2-one
PubChem CID10954708
Molecular FormulaC9H15NO2
Molecular Weight169.22 g/mol
Exact Mass169.11
IUPAC Name(3R,3aR,6aS)-3-propyl-3,3a,4,5,6,6a-hexahydrofuro[3,2-b]pyrrol-2-one
SMILESCCC[C@H]1C(=O)O[C@H]2CCN[C@@H]21
InChIInChI=1S/C9H15NO2/c1-2-3-6-8-7(4-5-10-8)12-9(6)11/h6-8,10H,2-5H2,1H3/t6-,7+,8-/m1/s1
InChIKeyPLKIGWFTMCOTBG-GJMOJQLCSA-N
XLogP0.69
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.22
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3R,3aR,6aS)-3-propyl-3,3a,4,5,6,6a-hexahydrofuro[3,2-b]pyrrol-2-one?
The IUPAC name of (3R,3aR,6aS)-3-propyl-3,3a,4,5,6,6a-hexahydrofuro[3,2-b]pyrrol-2-one (CID 10954708) is (3R,3aR,6aS)-3-propyl-3,3a,4,5,6,6a-hexahydrofuro[3,2-b]pyrrol-2-one.
What is the SMILES notation for (3R,3aR,6aS)-3-propyl-3,3a,4,5,6,6a-hexahydrofuro[3,2-b]pyrrol-2-one?
The canonical SMILES for (3R,3aR,6aS)-3-propyl-3,3a,4,5,6,6a-hexahydrofuro[3,2-b]pyrrol-2-one is CCC[C@H]1C(=O)O[C@H]2CCN[C@@H]21.
What is the InChIKey of (3R,3aR,6aS)-3-propyl-3,3a,4,5,6,6a-hexahydrofuro[3,2-b]pyrrol-2-one?
The InChIKey is PLKIGWFTMCOTBG-GJMOJQLCSA-N. The full InChI is InChI=1S/C9H15NO2/c1-2-3-6-8-7(4-5-10-8)12-9(6)11/h6-8,10H,2-5H2,1H3/t6-,7+,8-/m1/s1.
What are the key properties of (3R,3aR,6aS)-3-propyl-3,3a,4,5,6,6a-hexahydrofuro[3,2-b]pyrrol-2-one?
(3R,3aR,6aS)-3-propyl-3,3a,4,5,6,6a-hexahydrofuro[3,2-b]pyrrol-2-one has a molecular weight of 169.22 g/mol, XLogP of 0.69, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,3aR,6aS)-3-propyl-3,3a,4,5,6,6a-hexahydrofuro[3,2-b]pyrrol-2-one is sourced from PubChem (CID 10954708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).