(3R,4R)-3,4-dimethoxypyrrolidine;hydrochloride

C6H14ClNO2 — CID 66592962

IUPAC(3R,4R)-3,4-dimethoxypyrrolidine;hydrochloride
SMILESCO[C@@H]1CNC[C@H]1OC.Cl
InChIInChI=1S/C6H13NO2.ClH/c1-8-5-3-7-4-6(5)9-2;/h5-7H,3-4H2,1-2H3;1H/t5-,6-;/m1./s1
InChIKeyXHADJZKQYPPMFA-KGZKBUQUSA-N
MW167.64 g/mol
LogP0.04
Rot. Bonds2

About (3R,4R)-3,4-dimethoxypyrrolidine;hydrochloride

(3R,4R)-3,4-dimethoxypyrrolidine;hydrochloride (PubChem CID 66592962) has the molecular formula C6H14ClNO2 and a molecular weight of 167.64 g/mol. Its IUPAC name is (3R,4R)-3,4-dimethoxypyrrolidine;hydrochloride.

Molecular Properties

Compound Name(3R,4R)-3,4-dimethoxypyrrolidine;hydrochloride
PubChem CID66592962
Molecular FormulaC6H14ClNO2
Molecular Weight167.64 g/mol
Exact Mass167.07
IUPAC Name(3R,4R)-3,4-dimethoxypyrrolidine;hydrochloride
SMILESCO[C@@H]1CNC[C@H]1OC.Cl
InChIInChI=1S/C6H13NO2.ClH/c1-8-5-3-7-4-6(5)9-2;/h5-7H,3-4H2,1-2H3;1H/t5-,6-;/m1./s1
InChIKeyXHADJZKQYPPMFA-KGZKBUQUSA-N
XLogP0.04
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.64
LogP ≤ 50.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (3R,4R)-3,4-dimethoxypyrrolidine;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3R,4R)-3,4-dimethoxypyrrolidine;hydrochloride?
The IUPAC name of (3R,4R)-3,4-dimethoxypyrrolidine;hydrochloride (CID 66592962) is (3R,4R)-3,4-dimethoxypyrrolidine;hydrochloride.
What is the SMILES notation for (3R,4R)-3,4-dimethoxypyrrolidine;hydrochloride?
The canonical SMILES for (3R,4R)-3,4-dimethoxypyrrolidine;hydrochloride is CO[C@@H]1CNC[C@H]1OC.Cl.
What is the InChIKey of (3R,4R)-3,4-dimethoxypyrrolidine;hydrochloride?
The InChIKey is XHADJZKQYPPMFA-KGZKBUQUSA-N. The full InChI is InChI=1S/C6H13NO2.ClH/c1-8-5-3-7-4-6(5)9-2;/h5-7H,3-4H2,1-2H3;1H/t5-,6-;/m1./s1.
What are the key properties of (3R,4R)-3,4-dimethoxypyrrolidine;hydrochloride?
(3R,4R)-3,4-dimethoxypyrrolidine;hydrochloride has a molecular weight of 167.64 g/mol, XLogP of 0.04, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-3,4-dimethoxypyrrolidine;hydrochloride is sourced from PubChem (CID 66592962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).