5-ethyl-3,4-dihydro-2H-pyrrole;2-ethyl-1,2,3,4-tetrahydropyridine

C13H24N2 — CID 174627078

IUPAC5-ethyl-3,4-dihydro-2H-pyrrole;2-ethyl-1,2,3,4-tetrahydropyridine
SMILESCCC1=NCCC1.CCC1CCC=CN1
InChIInChI=1S/C7H13N.C6H11N/c1-2-7-5-3-4-6-8-7;1-2-6-4-3-5-7-6/h4,6-8H,2-3,5H2,1H3;2-5H2,1H3
InChIKeyANNOVUFIKHYQRE-UHFFFAOYSA-N
MW208.35 g/mol
LogP3.29
Rot. Bonds2

About 5-ethyl-3,4-dihydro-2H-pyrrole;2-ethyl-1,2,3,4-tetrahydropyridine

5-ethyl-3,4-dihydro-2H-pyrrole;2-ethyl-1,2,3,4-tetrahydropyridine (PubChem CID 174627078) has the molecular formula C13H24N2 and a molecular weight of 208.35 g/mol. Its IUPAC name is 5-ethyl-3,4-dihydro-2H-pyrrole;2-ethyl-1,2,3,4-tetrahydropyridine.

Molecular Properties

Compound Name5-ethyl-3,4-dihydro-2H-pyrrole;2-ethyl-1,2,3,4-tetrahydropyridine
PubChem CID174627078
Molecular FormulaC13H24N2
Molecular Weight208.35 g/mol
Exact Mass208.19
IUPAC Name5-ethyl-3,4-dihydro-2H-pyrrole;2-ethyl-1,2,3,4-tetrahydropyridine
SMILESCCC1=NCCC1.CCC1CCC=CN1
InChIInChI=1S/C7H13N.C6H11N/c1-2-7-5-3-4-6-8-7;1-2-6-4-3-5-7-6/h4,6-8H,2-3,5H2,1H3;2-5H2,1H3
InChIKeyANNOVUFIKHYQRE-UHFFFAOYSA-N
XLogP3.29
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.35
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 5-ethyl-3,4-dihydro-2H-pyrrole;2-ethyl-1,2,3,4-tetrahydropyridine 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 5-ethyl-3,4-dihydro-2H-pyrrole;2-ethyl-1,2,3,4-tetrahydropyridine?
The IUPAC name of 5-ethyl-3,4-dihydro-2H-pyrrole;2-ethyl-1,2,3,4-tetrahydropyridine (CID 174627078) is 5-ethyl-3,4-dihydro-2H-pyrrole;2-ethyl-1,2,3,4-tetrahydropyridine.
What is the SMILES notation for 5-ethyl-3,4-dihydro-2H-pyrrole;2-ethyl-1,2,3,4-tetrahydropyridine?
The canonical SMILES for 5-ethyl-3,4-dihydro-2H-pyrrole;2-ethyl-1,2,3,4-tetrahydropyridine is CCC1=NCCC1.CCC1CCC=CN1.
What is the InChIKey of 5-ethyl-3,4-dihydro-2H-pyrrole;2-ethyl-1,2,3,4-tetrahydropyridine?
The InChIKey is ANNOVUFIKHYQRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N.C6H11N/c1-2-7-5-3-4-6-8-7;1-2-6-4-3-5-7-6/h4,6-8H,2-3,5H2,1H3;2-5H2,1H3.
What are the key properties of 5-ethyl-3,4-dihydro-2H-pyrrole;2-ethyl-1,2,3,4-tetrahydropyridine?
5-ethyl-3,4-dihydro-2H-pyrrole;2-ethyl-1,2,3,4-tetrahydropyridine has a molecular weight of 208.35 g/mol, XLogP of 3.29, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-3,4-dihydro-2H-pyrrole;2-ethyl-1,2,3,4-tetrahydropyridine is sourced from PubChem (CID 174627078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).