4-ethyl-2-methylpyrrolidine

C7H15N — CID 23313713

IUPAC4-ethyl-2-methylpyrrolidine
SMILESCCC1CNC(C)C1
InChIInChI=1S/C7H15N/c1-3-7-4-6(2)8-5-7/h6-8H,3-5H2,1-2H3
InChIKeyGQLMMILDQJPJHL-UHFFFAOYSA-N
MW113.20 g/mol
LogP1.39
Rot. Bonds1

About 4-ethyl-2-methylpyrrolidine

4-ethyl-2-methylpyrrolidine (PubChem CID 23313713) has the molecular formula C7H15N and a molecular weight of 113.20 g/mol. Its IUPAC name is 4-ethyl-2-methylpyrrolidine.

Molecular Properties

Compound Name4-ethyl-2-methylpyrrolidine
PubChem CID23313713
Molecular FormulaC7H15N
Molecular Weight113.20 g/mol
Exact Mass113.12
IUPAC Name4-ethyl-2-methylpyrrolidine
SMILESCCC1CNC(C)C1
InChIInChI=1S/C7H15N/c1-3-7-4-6(2)8-5-7/h6-8H,3-5H2,1-2H3
InChIKeyGQLMMILDQJPJHL-UHFFFAOYSA-N
XLogP1.39
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500113.20
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2-methylpyrrolidine?
The IUPAC name of 4-ethyl-2-methylpyrrolidine (CID 23313713) is 4-ethyl-2-methylpyrrolidine.
What is the SMILES notation for 4-ethyl-2-methylpyrrolidine?
The canonical SMILES for 4-ethyl-2-methylpyrrolidine is CCC1CNC(C)C1.
What is the InChIKey of 4-ethyl-2-methylpyrrolidine?
The InChIKey is GQLMMILDQJPJHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15N/c1-3-7-4-6(2)8-5-7/h6-8H,3-5H2,1-2H3.
What are the key properties of 4-ethyl-2-methylpyrrolidine?
4-ethyl-2-methylpyrrolidine has a molecular weight of 113.20 g/mol, XLogP of 1.39, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2-methylpyrrolidine is sourced from PubChem (CID 23313713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).