(5E)-1-ethyl-2,2-dimethyl-5-(3-methylbut-2-enylidene)pyrrolidine

C13H23N — CID 20682524

IUPAC(5E)-1-ethyl-2,2-dimethyl-5-(3-methylbut-2-enylidene)pyrrolidine
SMILESCCN1/C(=C/C=C(C)C)CCC1(C)C
InChIInChI=1S/C13H23N/c1-6-14-12(8-7-11(2)3)9-10-13(14,4)5/h7-8H,6,9-10H2,1-5H3/b12-8+
InChIKeyCLIUMFVWJPZQTK-XYOKQWHBSA-N
MW193.33 g/mol
LogP3.73
Rot. Bonds2

About (5E)-1-ethyl-2,2-dimethyl-5-(3-methylbut-2-enylidene)pyrrolidine

(5E)-1-ethyl-2,2-dimethyl-5-(3-methylbut-2-enylidene)pyrrolidine (PubChem CID 20682524) has the molecular formula C13H23N and a molecular weight of 193.33 g/mol. Its IUPAC name is (5E)-1-ethyl-2,2-dimethyl-5-(3-methylbut-2-enylidene)pyrrolidine.

Molecular Properties

Compound Name(5E)-1-ethyl-2,2-dimethyl-5-(3-methylbut-2-enylidene)pyrrolidine
PubChem CID20682524
Molecular FormulaC13H23N
Molecular Weight193.33 g/mol
Exact Mass193.18
IUPAC Name(5E)-1-ethyl-2,2-dimethyl-5-(3-methylbut-2-enylidene)pyrrolidine
SMILESCCN1/C(=C/C=C(C)C)CCC1(C)C
InChIInChI=1S/C13H23N/c1-6-14-12(8-7-11(2)3)9-10-13(14,4)5/h7-8H,6,9-10H2,1-5H3/b12-8+
InChIKeyCLIUMFVWJPZQTK-XYOKQWHBSA-N
XLogP3.73
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.33
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze (5E)-1-ethyl-2,2-dimethyl-5-(3-methylbut-2-enylidene)pyrrolidine 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 (5E)-1-ethyl-2,2-dimethyl-5-(3-methylbut-2-enylidene)pyrrolidine?
The IUPAC name of (5E)-1-ethyl-2,2-dimethyl-5-(3-methylbut-2-enylidene)pyrrolidine (CID 20682524) is (5E)-1-ethyl-2,2-dimethyl-5-(3-methylbut-2-enylidene)pyrrolidine.
What is the SMILES notation for (5E)-1-ethyl-2,2-dimethyl-5-(3-methylbut-2-enylidene)pyrrolidine?
The canonical SMILES for (5E)-1-ethyl-2,2-dimethyl-5-(3-methylbut-2-enylidene)pyrrolidine is CCN1/C(=C/C=C(C)C)CCC1(C)C.
What is the InChIKey of (5E)-1-ethyl-2,2-dimethyl-5-(3-methylbut-2-enylidene)pyrrolidine?
The InChIKey is CLIUMFVWJPZQTK-XYOKQWHBSA-N. The full InChI is InChI=1S/C13H23N/c1-6-14-12(8-7-11(2)3)9-10-13(14,4)5/h7-8H,6,9-10H2,1-5H3/b12-8+.
What are the key properties of (5E)-1-ethyl-2,2-dimethyl-5-(3-methylbut-2-enylidene)pyrrolidine?
(5E)-1-ethyl-2,2-dimethyl-5-(3-methylbut-2-enylidene)pyrrolidine has a molecular weight of 193.33 g/mol, XLogP of 3.73, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-1-ethyl-2,2-dimethyl-5-(3-methylbut-2-enylidene)pyrrolidine is sourced from PubChem (CID 20682524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).