3-(methoxymethyl)-1-propylpyrrolidine

C9H19NO — CID 59535774

IUPAC3-(methoxymethyl)-1-propylpyrrolidine
SMILESCCCN1CCC(COC)C1
InChIInChI=1S/C9H19NO/c1-3-5-10-6-4-9(7-10)8-11-2/h9H,3-8H2,1-2H3
InChIKeyVQSZTOCIEAIMAG-UHFFFAOYSA-N
MW157.26 g/mol
LogP1.36
Rot. Bonds4

About 3-(methoxymethyl)-1-propylpyrrolidine

3-(methoxymethyl)-1-propylpyrrolidine (PubChem CID 59535774) has the molecular formula C9H19NO and a molecular weight of 157.26 g/mol. Its IUPAC name is 3-(methoxymethyl)-1-propylpyrrolidine.

Molecular Properties

Compound Name3-(methoxymethyl)-1-propylpyrrolidine
PubChem CID59535774
Molecular FormulaC9H19NO
Molecular Weight157.26 g/mol
Exact Mass157.15
IUPAC Name3-(methoxymethyl)-1-propylpyrrolidine
SMILESCCCN1CCC(COC)C1
InChIInChI=1S/C9H19NO/c1-3-5-10-6-4-9(7-10)8-11-2/h9H,3-8H2,1-2H3
InChIKeyVQSZTOCIEAIMAG-UHFFFAOYSA-N
XLogP1.36
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.26
LogP ≤ 51.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(methoxymethyl)-1-propylpyrrolidine?
The IUPAC name of 3-(methoxymethyl)-1-propylpyrrolidine (CID 59535774) is 3-(methoxymethyl)-1-propylpyrrolidine.
What is the SMILES notation for 3-(methoxymethyl)-1-propylpyrrolidine?
The canonical SMILES for 3-(methoxymethyl)-1-propylpyrrolidine is CCCN1CCC(COC)C1.
What is the InChIKey of 3-(methoxymethyl)-1-propylpyrrolidine?
The InChIKey is VQSZTOCIEAIMAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO/c1-3-5-10-6-4-9(7-10)8-11-2/h9H,3-8H2,1-2H3.
What are the key properties of 3-(methoxymethyl)-1-propylpyrrolidine?
3-(methoxymethyl)-1-propylpyrrolidine has a molecular weight of 157.26 g/mol, XLogP of 1.36, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methoxymethyl)-1-propylpyrrolidine is sourced from PubChem (CID 59535774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).