(3R,4S)-3,4-dimethoxypyrrolidin-2-one

C6H11NO3 — CID 134850659

IUPAC(3R,4S)-3,4-dimethoxypyrrolidin-2-one
SMILESCO[C@H]1CNC(=O)[C@@H]1OC
InChIInChI=1S/C6H11NO3/c1-9-4-3-7-6(8)5(4)10-2/h4-5H,3H2,1-2H3,(H,7,8)/t4-,5+/m0/s1
InChIKeyRKMINCOBVILLJT-CRCLSJGQSA-N
MW145.16 g/mol
LogP-0.85
Rot. Bonds2

About (3R,4S)-3,4-dimethoxypyrrolidin-2-one

(3R,4S)-3,4-dimethoxypyrrolidin-2-one (PubChem CID 134850659) has the molecular formula C6H11NO3 and a molecular weight of 145.16 g/mol. Its IUPAC name is (3R,4S)-3,4-dimethoxypyrrolidin-2-one.

Molecular Properties

Compound Name(3R,4S)-3,4-dimethoxypyrrolidin-2-one
PubChem CID134850659
Molecular FormulaC6H11NO3
Molecular Weight145.16 g/mol
Exact Mass145.07
IUPAC Name(3R,4S)-3,4-dimethoxypyrrolidin-2-one
SMILESCO[C@H]1CNC(=O)[C@@H]1OC
InChIInChI=1S/C6H11NO3/c1-9-4-3-7-6(8)5(4)10-2/h4-5H,3H2,1-2H3,(H,7,8)/t4-,5+/m0/s1
InChIKeyRKMINCOBVILLJT-CRCLSJGQSA-N
XLogP-0.85
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.16
LogP ≤ 5-0.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3R,4S)-3,4-dimethoxypyrrolidin-2-one?
The IUPAC name of (3R,4S)-3,4-dimethoxypyrrolidin-2-one (CID 134850659) is (3R,4S)-3,4-dimethoxypyrrolidin-2-one.
What is the SMILES notation for (3R,4S)-3,4-dimethoxypyrrolidin-2-one?
The canonical SMILES for (3R,4S)-3,4-dimethoxypyrrolidin-2-one is CO[C@H]1CNC(=O)[C@@H]1OC.
What is the InChIKey of (3R,4S)-3,4-dimethoxypyrrolidin-2-one?
The InChIKey is RKMINCOBVILLJT-CRCLSJGQSA-N. The full InChI is InChI=1S/C6H11NO3/c1-9-4-3-7-6(8)5(4)10-2/h4-5H,3H2,1-2H3,(H,7,8)/t4-,5+/m0/s1.
What are the key properties of (3R,4S)-3,4-dimethoxypyrrolidin-2-one?
(3R,4S)-3,4-dimethoxypyrrolidin-2-one has a molecular weight of 145.16 g/mol, XLogP of -0.85, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-3,4-dimethoxypyrrolidin-2-one is sourced from PubChem (CID 134850659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).