3,3-dimethoxypyrrolidine

C6H13NO2 — CID 11029882

IUPAC3,3-dimethoxypyrrolidine
SMILESCOC1(OC)CCNC1
InChIInChI=1S/C6H13NO2/c1-8-6(9-2)3-4-7-5-6/h7H,3-5H2,1-2H3
InChIKeyNGUZLZRQOZXVSQ-UHFFFAOYSA-N
MW131.18 g/mol
LogP-0.03
Rot. Bonds2

About 3,3-dimethoxypyrrolidine

3,3-dimethoxypyrrolidine (PubChem CID 11029882) has the molecular formula C6H13NO2 and a molecular weight of 131.18 g/mol. Its IUPAC name is 3,3-dimethoxypyrrolidine.

Molecular Properties

Compound Name3,3-dimethoxypyrrolidine
PubChem CID11029882
Molecular FormulaC6H13NO2
Molecular Weight131.18 g/mol
Exact Mass131.09
IUPAC Name3,3-dimethoxypyrrolidine
SMILESCOC1(OC)CCNC1
InChIInChI=1S/C6H13NO2/c1-8-6(9-2)3-4-7-5-6/h7H,3-5H2,1-2H3
InChIKeyNGUZLZRQOZXVSQ-UHFFFAOYSA-N
XLogP-0.03
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 ≤ 5-0.03
H-Bond Donors ≤ 51
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 3,3-dimethoxypyrrolidine?
The IUPAC name of 3,3-dimethoxypyrrolidine (CID 11029882) is 3,3-dimethoxypyrrolidine.
What is the SMILES notation for 3,3-dimethoxypyrrolidine?
The canonical SMILES for 3,3-dimethoxypyrrolidine is COC1(OC)CCNC1.
What is the InChIKey of 3,3-dimethoxypyrrolidine?
The InChIKey is NGUZLZRQOZXVSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO2/c1-8-6(9-2)3-4-7-5-6/h7H,3-5H2,1-2H3.
What are the key properties of 3,3-dimethoxypyrrolidine?
3,3-dimethoxypyrrolidine has a molecular weight of 131.18 g/mol, XLogP of -0.03, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethoxypyrrolidine is sourced from PubChem (CID 11029882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).