3-(1-methylpyrrolidin-2-yl)-1,2-dihydropyridine

C10H16N2 — CID 19804553

IUPAC3-(1-methylpyrrolidin-2-yl)-1,2-dihydropyridine
SMILESCN1CCCC1C1=CC=CNC1
InChIInChI=1S/C10H16N2/c1-12-7-3-5-10(12)9-4-2-6-11-8-9/h2,4,6,10-11H,3,5,7-8H2,1H3
InChIKeyALAFLZBTERPAMD-UHFFFAOYSA-N
MW164.25 g/mol
LogP1.12
Rot. Bonds1

About 3-(1-methylpyrrolidin-2-yl)-1,2-dihydropyridine

3-(1-methylpyrrolidin-2-yl)-1,2-dihydropyridine (PubChem CID 19804553) has the molecular formula C10H16N2 and a molecular weight of 164.25 g/mol. Its IUPAC name is 3-(1-methylpyrrolidin-2-yl)-1,2-dihydropyridine.

Molecular Properties

Compound Name3-(1-methylpyrrolidin-2-yl)-1,2-dihydropyridine
PubChem CID19804553
Molecular FormulaC10H16N2
Molecular Weight164.25 g/mol
Exact Mass164.13
IUPAC Name3-(1-methylpyrrolidin-2-yl)-1,2-dihydropyridine
SMILESCN1CCCC1C1=CC=CNC1
InChIInChI=1S/C10H16N2/c1-12-7-3-5-10(12)9-4-2-6-11-8-9/h2,4,6,10-11H,3,5,7-8H2,1H3
InChIKeyALAFLZBTERPAMD-UHFFFAOYSA-N
XLogP1.12
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.25
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-(1-methylpyrrolidin-2-yl)-1,2-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-(1-methylpyrrolidin-2-yl)-1,2-dihydropyridine?
The IUPAC name of 3-(1-methylpyrrolidin-2-yl)-1,2-dihydropyridine (CID 19804553) is 3-(1-methylpyrrolidin-2-yl)-1,2-dihydropyridine.
What is the SMILES notation for 3-(1-methylpyrrolidin-2-yl)-1,2-dihydropyridine?
The canonical SMILES for 3-(1-methylpyrrolidin-2-yl)-1,2-dihydropyridine is CN1CCCC1C1=CC=CNC1.
What is the InChIKey of 3-(1-methylpyrrolidin-2-yl)-1,2-dihydropyridine?
The InChIKey is ALAFLZBTERPAMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2/c1-12-7-3-5-10(12)9-4-2-6-11-8-9/h2,4,6,10-11H,3,5,7-8H2,1H3.
What are the key properties of 3-(1-methylpyrrolidin-2-yl)-1,2-dihydropyridine?
3-(1-methylpyrrolidin-2-yl)-1,2-dihydropyridine has a molecular weight of 164.25 g/mol, XLogP of 1.12, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-methylpyrrolidin-2-yl)-1,2-dihydropyridine is sourced from PubChem (CID 19804553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).