(3S,4R)-3,4-dimethoxypyrrolidine

C6H13NO2 — CID 20745983

IUPAC(3S,4R)-3,4-dimethoxypyrrolidine
SMILESCO[C@H]1CNC[C@H]1OC
InChIInChI=1S/C6H13NO2/c1-8-5-3-7-4-6(5)9-2/h5-7H,3-4H2,1-2H3/t5-,6+
InChIKeyCROOPTGQTSCWCM-OLQVQODUSA-N
MW131.18 g/mol
LogP-0.38
Rot. Bonds2

About (3S,4R)-3,4-dimethoxypyrrolidine

(3S,4R)-3,4-dimethoxypyrrolidine (PubChem CID 20745983) has the molecular formula C6H13NO2 and a molecular weight of 131.18 g/mol. Its IUPAC name is (3S,4R)-3,4-dimethoxypyrrolidine.

Molecular Properties

Compound Name(3S,4R)-3,4-dimethoxypyrrolidine
PubChem CID20745983
Molecular FormulaC6H13NO2
Molecular Weight131.18 g/mol
Exact Mass131.09
IUPAC Name(3S,4R)-3,4-dimethoxypyrrolidine
SMILESCO[C@H]1CNC[C@H]1OC
InChIInChI=1S/C6H13NO2/c1-8-5-3-7-4-6(5)9-2/h5-7H,3-4H2,1-2H3/t5-,6+
InChIKeyCROOPTGQTSCWCM-OLQVQODUSA-N
XLogP-0.38
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.18
LogP ≤ 5-0.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3S,4R)-3,4-dimethoxypyrrolidine?
The IUPAC name of (3S,4R)-3,4-dimethoxypyrrolidine (CID 20745983) is (3S,4R)-3,4-dimethoxypyrrolidine.
What is the SMILES notation for (3S,4R)-3,4-dimethoxypyrrolidine?
The canonical SMILES for (3S,4R)-3,4-dimethoxypyrrolidine is CO[C@H]1CNC[C@H]1OC.
What is the InChIKey of (3S,4R)-3,4-dimethoxypyrrolidine?
The InChIKey is CROOPTGQTSCWCM-OLQVQODUSA-N. The full InChI is InChI=1S/C6H13NO2/c1-8-5-3-7-4-6(5)9-2/h5-7H,3-4H2,1-2H3/t5-,6+.
What are the key properties of (3S,4R)-3,4-dimethoxypyrrolidine?
(3S,4R)-3,4-dimethoxypyrrolidine has a molecular weight of 131.18 g/mol, XLogP of -0.38, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-3,4-dimethoxypyrrolidine is sourced from PubChem (CID 20745983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).