4,4-dimethoxy-1,2-dimethylpyrrolidine

C8H17NO2 — CID 130193925

IUPAC4,4-dimethoxy-1,2-dimethylpyrrolidine
SMILESCOC1(OC)CC(C)N(C)C1
InChIInChI=1S/C8H17NO2/c1-7-5-8(10-3,11-4)6-9(7)2/h7H,5-6H2,1-4H3
InChIKeyQQVVHHOHHOKDOV-UHFFFAOYSA-N
MW159.23 g/mol
LogP0.70
Rot. Bonds2

About 4,4-dimethoxy-1,2-dimethylpyrrolidine

4,4-dimethoxy-1,2-dimethylpyrrolidine (PubChem CID 130193925) has the molecular formula C8H17NO2 and a molecular weight of 159.23 g/mol. Its IUPAC name is 4,4-dimethoxy-1,2-dimethylpyrrolidine.

Molecular Properties

Compound Name4,4-dimethoxy-1,2-dimethylpyrrolidine
PubChem CID130193925
Molecular FormulaC8H17NO2
Molecular Weight159.23 g/mol
Exact Mass159.13
IUPAC Name4,4-dimethoxy-1,2-dimethylpyrrolidine
SMILESCOC1(OC)CC(C)N(C)C1
InChIInChI=1S/C8H17NO2/c1-7-5-8(10-3,11-4)6-9(7)2/h7H,5-6H2,1-4H3
InChIKeyQQVVHHOHHOKDOV-UHFFFAOYSA-N
XLogP0.70
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.23
LogP ≤ 50.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4,4-dimethoxy-1,2-dimethylpyrrolidine?
The IUPAC name of 4,4-dimethoxy-1,2-dimethylpyrrolidine (CID 130193925) is 4,4-dimethoxy-1,2-dimethylpyrrolidine.
What is the SMILES notation for 4,4-dimethoxy-1,2-dimethylpyrrolidine?
The canonical SMILES for 4,4-dimethoxy-1,2-dimethylpyrrolidine is COC1(OC)CC(C)N(C)C1.
What is the InChIKey of 4,4-dimethoxy-1,2-dimethylpyrrolidine?
The InChIKey is QQVVHHOHHOKDOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO2/c1-7-5-8(10-3,11-4)6-9(7)2/h7H,5-6H2,1-4H3.
What are the key properties of 4,4-dimethoxy-1,2-dimethylpyrrolidine?
4,4-dimethoxy-1,2-dimethylpyrrolidine has a molecular weight of 159.23 g/mol, XLogP of 0.70, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethoxy-1,2-dimethylpyrrolidine is sourced from PubChem (CID 130193925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).