2-ethyl-2-(methoxymethyl)-1-methylpyrrolidine

C9H19NO — CID 118615709

IUPAC2-ethyl-2-(methoxymethyl)-1-methylpyrrolidine
SMILESCCC1(COC)CCCN1C
InChIInChI=1S/C9H19NO/c1-4-9(8-11-3)6-5-7-10(9)2/h4-8H2,1-3H3
InChIKeyVTOIYIWDIZSHBU-UHFFFAOYSA-N
MW157.26 g/mol
LogP1.51
Rot. Bonds3

About 2-ethyl-2-(methoxymethyl)-1-methylpyrrolidine

2-ethyl-2-(methoxymethyl)-1-methylpyrrolidine (PubChem CID 118615709) has the molecular formula C9H19NO and a molecular weight of 157.26 g/mol. Its IUPAC name is 2-ethyl-2-(methoxymethyl)-1-methylpyrrolidine.

Molecular Properties

Compound Name2-ethyl-2-(methoxymethyl)-1-methylpyrrolidine
PubChem CID118615709
Molecular FormulaC9H19NO
Molecular Weight157.26 g/mol
Exact Mass157.15
IUPAC Name2-ethyl-2-(methoxymethyl)-1-methylpyrrolidine
SMILESCCC1(COC)CCCN1C
InChIInChI=1S/C9H19NO/c1-4-9(8-11-3)6-5-7-10(9)2/h4-8H2,1-3H3
InChIKeyVTOIYIWDIZSHBU-UHFFFAOYSA-N
XLogP1.51
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.26
LogP ≤ 51.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-(methoxymethyl)-1-methylpyrrolidine?
The IUPAC name of 2-ethyl-2-(methoxymethyl)-1-methylpyrrolidine (CID 118615709) is 2-ethyl-2-(methoxymethyl)-1-methylpyrrolidine.
What is the SMILES notation for 2-ethyl-2-(methoxymethyl)-1-methylpyrrolidine?
The canonical SMILES for 2-ethyl-2-(methoxymethyl)-1-methylpyrrolidine is CCC1(COC)CCCN1C.
What is the InChIKey of 2-ethyl-2-(methoxymethyl)-1-methylpyrrolidine?
The InChIKey is VTOIYIWDIZSHBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO/c1-4-9(8-11-3)6-5-7-10(9)2/h4-8H2,1-3H3.
What are the key properties of 2-ethyl-2-(methoxymethyl)-1-methylpyrrolidine?
2-ethyl-2-(methoxymethyl)-1-methylpyrrolidine has a molecular weight of 157.26 g/mol, XLogP of 1.51, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-(methoxymethyl)-1-methylpyrrolidine is sourced from PubChem (CID 118615709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).