3,5-dimethyl-2-pyrrolidin-1-yl-2,3-dihydropyridine

C11H18N2 — CID 146538365

IUPAC3,5-dimethyl-2-pyrrolidin-1-yl-2,3-dihydropyridine
SMILESCC1=CC(C)C(N2CCCC2)N=C1
InChIInChI=1S/C11H18N2/c1-9-7-10(2)11(12-8-9)13-5-3-4-6-13/h7-8,10-11H,3-6H2,1-2H3
InChIKeyLBZIDXXEOLZGGB-UHFFFAOYSA-N
MW178.28 g/mol
LogP2.08
Rot. Bonds1

About 3,5-dimethyl-2-pyrrolidin-1-yl-2,3-dihydropyridine

3,5-dimethyl-2-pyrrolidin-1-yl-2,3-dihydropyridine (PubChem CID 146538365) has the molecular formula C11H18N2 and a molecular weight of 178.28 g/mol. Its IUPAC name is 3,5-dimethyl-2-pyrrolidin-1-yl-2,3-dihydropyridine.

Molecular Properties

Compound Name3,5-dimethyl-2-pyrrolidin-1-yl-2,3-dihydropyridine
PubChem CID146538365
Molecular FormulaC11H18N2
Molecular Weight178.28 g/mol
Exact Mass178.15
IUPAC Name3,5-dimethyl-2-pyrrolidin-1-yl-2,3-dihydropyridine
SMILESCC1=CC(C)C(N2CCCC2)N=C1
InChIInChI=1S/C11H18N2/c1-9-7-10(2)11(12-8-9)13-5-3-4-6-13/h7-8,10-11H,3-6H2,1-2H3
InChIKeyLBZIDXXEOLZGGB-UHFFFAOYSA-N
XLogP2.08
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.28
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 3,5-dimethyl-2-pyrrolidin-1-yl-2,3-dihydropyridine 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 3,5-dimethyl-2-pyrrolidin-1-yl-2,3-dihydropyridine?
The IUPAC name of 3,5-dimethyl-2-pyrrolidin-1-yl-2,3-dihydropyridine (CID 146538365) is 3,5-dimethyl-2-pyrrolidin-1-yl-2,3-dihydropyridine.
What is the SMILES notation for 3,5-dimethyl-2-pyrrolidin-1-yl-2,3-dihydropyridine?
The canonical SMILES for 3,5-dimethyl-2-pyrrolidin-1-yl-2,3-dihydropyridine is CC1=CC(C)C(N2CCCC2)N=C1.
What is the InChIKey of 3,5-dimethyl-2-pyrrolidin-1-yl-2,3-dihydropyridine?
The InChIKey is LBZIDXXEOLZGGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2/c1-9-7-10(2)11(12-8-9)13-5-3-4-6-13/h7-8,10-11H,3-6H2,1-2H3.
What are the key properties of 3,5-dimethyl-2-pyrrolidin-1-yl-2,3-dihydropyridine?
3,5-dimethyl-2-pyrrolidin-1-yl-2,3-dihydropyridine has a molecular weight of 178.28 g/mol, XLogP of 2.08, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-2-pyrrolidin-1-yl-2,3-dihydropyridine is sourced from PubChem (CID 146538365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).