(3R,4R)-3,4-dimethoxy-1-methylpyrrolidine

C7H15NO2 — CID 59319954

IUPAC(3R,4R)-3,4-dimethoxy-1-methylpyrrolidine
SMILESCO[C@@H]1CN(C)C[C@H]1OC
InChIInChI=1S/C7H15NO2/c1-8-4-6(9-2)7(5-8)10-3/h6-7H,4-5H2,1-3H3/t6-,7-/m1/s1
InChIKeyLIIOYWQAVSZLFG-RNFRBKRXSA-N
MW145.20 g/mol
LogP-0.04
Rot. Bonds2

About (3R,4R)-3,4-dimethoxy-1-methylpyrrolidine

(3R,4R)-3,4-dimethoxy-1-methylpyrrolidine (PubChem CID 59319954) has the molecular formula C7H15NO2 and a molecular weight of 145.20 g/mol. Its IUPAC name is (3R,4R)-3,4-dimethoxy-1-methylpyrrolidine.

Molecular Properties

Compound Name(3R,4R)-3,4-dimethoxy-1-methylpyrrolidine
PubChem CID59319954
Molecular FormulaC7H15NO2
Molecular Weight145.20 g/mol
Exact Mass145.11
IUPAC Name(3R,4R)-3,4-dimethoxy-1-methylpyrrolidine
SMILESCO[C@@H]1CN(C)C[C@H]1OC
InChIInChI=1S/C7H15NO2/c1-8-4-6(9-2)7(5-8)10-3/h6-7H,4-5H2,1-3H3/t6-,7-/m1/s1
InChIKeyLIIOYWQAVSZLFG-RNFRBKRXSA-N
XLogP-0.04
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.20
LogP ≤ 5-0.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3R,4R)-3,4-dimethoxy-1-methylpyrrolidine?
The IUPAC name of (3R,4R)-3,4-dimethoxy-1-methylpyrrolidine (CID 59319954) is (3R,4R)-3,4-dimethoxy-1-methylpyrrolidine.
What is the SMILES notation for (3R,4R)-3,4-dimethoxy-1-methylpyrrolidine?
The canonical SMILES for (3R,4R)-3,4-dimethoxy-1-methylpyrrolidine is CO[C@@H]1CN(C)C[C@H]1OC.
What is the InChIKey of (3R,4R)-3,4-dimethoxy-1-methylpyrrolidine?
The InChIKey is LIIOYWQAVSZLFG-RNFRBKRXSA-N. The full InChI is InChI=1S/C7H15NO2/c1-8-4-6(9-2)7(5-8)10-3/h6-7H,4-5H2,1-3H3/t6-,7-/m1/s1.
What are the key properties of (3R,4R)-3,4-dimethoxy-1-methylpyrrolidine?
(3R,4R)-3,4-dimethoxy-1-methylpyrrolidine has a molecular weight of 145.20 g/mol, XLogP of -0.04, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-3,4-dimethoxy-1-methylpyrrolidine is sourced from PubChem (CID 59319954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).