3-methoxy-1-methylpyrrolidine

C6H13NO — CID 19039780

IUPAC3-methoxy-1-methylpyrrolidine
SMILESCOC1CCN(C)C1
InChIInChI=1S/C6H13NO/c1-7-4-3-6(5-7)8-2/h6H,3-5H2,1-2H3
InChIKeyHGVMMXPFXSHEKH-UHFFFAOYSA-N
MW115.18 g/mol
LogP0.34
Rot. Bonds1

About 3-methoxy-1-methylpyrrolidine

3-methoxy-1-methylpyrrolidine (PubChem CID 19039780) has the molecular formula C6H13NO and a molecular weight of 115.18 g/mol. Its IUPAC name is 3-methoxy-1-methylpyrrolidine.

Molecular Properties

Compound Name3-methoxy-1-methylpyrrolidine
PubChem CID19039780
Molecular FormulaC6H13NO
Molecular Weight115.18 g/mol
Exact Mass115.10
IUPAC Name3-methoxy-1-methylpyrrolidine
SMILESCOC1CCN(C)C1
InChIInChI=1S/C6H13NO/c1-7-4-3-6(5-7)8-2/h6H,3-5H2,1-2H3
InChIKeyHGVMMXPFXSHEKH-UHFFFAOYSA-N
XLogP0.34
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500115.18
LogP ≤ 50.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-1-methylpyrrolidine?
The IUPAC name of 3-methoxy-1-methylpyrrolidine (CID 19039780) is 3-methoxy-1-methylpyrrolidine.
What is the SMILES notation for 3-methoxy-1-methylpyrrolidine?
The canonical SMILES for 3-methoxy-1-methylpyrrolidine is COC1CCN(C)C1.
What is the InChIKey of 3-methoxy-1-methylpyrrolidine?
The InChIKey is HGVMMXPFXSHEKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO/c1-7-4-3-6(5-7)8-2/h6H,3-5H2,1-2H3.
What are the key properties of 3-methoxy-1-methylpyrrolidine?
3-methoxy-1-methylpyrrolidine has a molecular weight of 115.18 g/mol, XLogP of 0.34, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-1-methylpyrrolidine is sourced from PubChem (CID 19039780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).