1-ethyl-3-methylpyrrolidine

C7H15N — CID 11274984

IUPAC1-ethyl-3-methylpyrrolidine
SMILESCCN1CCC(C)C1
InChIInChI=1S/C7H15N/c1-3-8-5-4-7(2)6-8/h7H,3-6H2,1-2H3
InChIKeyXFFULTVXQDHRCE-UHFFFAOYSA-N
MW113.20 g/mol
LogP1.35
Rot. Bonds1

About 1-ethyl-3-methylpyrrolidine

1-ethyl-3-methylpyrrolidine (PubChem CID 11274984) has the molecular formula C7H15N and a molecular weight of 113.20 g/mol. Its IUPAC name is 1-ethyl-3-methylpyrrolidine.

Molecular Properties

Compound Name1-ethyl-3-methylpyrrolidine
PubChem CID11274984
Molecular FormulaC7H15N
Molecular Weight113.20 g/mol
Exact Mass113.12
IUPAC Name1-ethyl-3-methylpyrrolidine
SMILESCCN1CCC(C)C1
InChIInChI=1S/C7H15N/c1-3-8-5-4-7(2)6-8/h7H,3-6H2,1-2H3
InChIKeyXFFULTVXQDHRCE-UHFFFAOYSA-N
XLogP1.35
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 ≤ 51.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1-ethyl-3-methylpyrrolidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-methylpyrrolidine?
The IUPAC name of 1-ethyl-3-methylpyrrolidine (CID 11274984) is 1-ethyl-3-methylpyrrolidine.
What is the SMILES notation for 1-ethyl-3-methylpyrrolidine?
The canonical SMILES for 1-ethyl-3-methylpyrrolidine is CCN1CCC(C)C1.
What is the InChIKey of 1-ethyl-3-methylpyrrolidine?
The InChIKey is XFFULTVXQDHRCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15N/c1-3-8-5-4-7(2)6-8/h7H,3-6H2,1-2H3.
What are the key properties of 1-ethyl-3-methylpyrrolidine?
1-ethyl-3-methylpyrrolidine has a molecular weight of 113.20 g/mol, XLogP of 1.35, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-methylpyrrolidine is sourced from PubChem (CID 11274984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).