2-ethyl-1-methylpyrrolidine

C7H15N — CID 558604

IUPAC2-ethyl-1-methylpyrrolidine
SMILESCCC1CCCN1C
InChIInChI=1S/C7H15N/c1-3-7-5-4-6-8(7)2/h7H,3-6H2,1-2H3
InChIKeyIDQXZLKEWHBPCA-UHFFFAOYSA-N
MW113.20 g/mol
LogP1.49
Rot. Bonds1

About 2-ethyl-1-methylpyrrolidine

2-ethyl-1-methylpyrrolidine (PubChem CID 558604) has the molecular formula C7H15N and a molecular weight of 113.20 g/mol. Its IUPAC name is 2-ethyl-1-methylpyrrolidine.

Molecular Properties

Compound Name2-ethyl-1-methylpyrrolidine
PubChem CID558604
Molecular FormulaC7H15N
Molecular Weight113.20 g/mol
Exact Mass113.12
IUPAC Name2-ethyl-1-methylpyrrolidine
SMILESCCC1CCCN1C
InChIInChI=1S/C7H15N/c1-3-7-5-4-6-8(7)2/h7H,3-6H2,1-2H3
InChIKeyIDQXZLKEWHBPCA-UHFFFAOYSA-N
XLogP1.49
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500113.20
LogP ≤ 51.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1-methylpyrrolidine?
The IUPAC name of 2-ethyl-1-methylpyrrolidine (CID 558604) is 2-ethyl-1-methylpyrrolidine.
What is the SMILES notation for 2-ethyl-1-methylpyrrolidine?
The canonical SMILES for 2-ethyl-1-methylpyrrolidine is CCC1CCCN1C.
What is the InChIKey of 2-ethyl-1-methylpyrrolidine?
The InChIKey is IDQXZLKEWHBPCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15N/c1-3-7-5-4-6-8(7)2/h7H,3-6H2,1-2H3.
What are the key properties of 2-ethyl-1-methylpyrrolidine?
2-ethyl-1-methylpyrrolidine has a molecular weight of 113.20 g/mol, XLogP of 1.49, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1-methylpyrrolidine is sourced from PubChem (CID 558604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).