3-[(2S)-1-methylpyrrolidin-2-yl]-1,4-dihydropyridine

C10H16N2 — CID 45088833

IUPAC3-[(2S)-1-methylpyrrolidin-2-yl]-1,4-dihydropyridine
SMILESCN1CCC[C@H]1C1=CNC=CC1
InChIInChI=1S/C10H16N2/c1-12-7-3-5-10(12)9-4-2-6-11-8-9/h2,6,8,10-11H,3-5,7H2,1H3/t10-/m0/s1
InChIKeyYKFPBHYPTBLDNN-JTQLQIEISA-N
MW164.25 g/mol
LogP1.47
Rot. Bonds1

About 3-[(2S)-1-methylpyrrolidin-2-yl]-1,4-dihydropyridine

3-[(2S)-1-methylpyrrolidin-2-yl]-1,4-dihydropyridine (PubChem CID 45088833) has the molecular formula C10H16N2 and a molecular weight of 164.25 g/mol. Its IUPAC name is 3-[(2S)-1-methylpyrrolidin-2-yl]-1,4-dihydropyridine.

Molecular Properties

Compound Name3-[(2S)-1-methylpyrrolidin-2-yl]-1,4-dihydropyridine
PubChem CID45088833
Molecular FormulaC10H16N2
Molecular Weight164.25 g/mol
Exact Mass164.13
IUPAC Name3-[(2S)-1-methylpyrrolidin-2-yl]-1,4-dihydropyridine
SMILESCN1CCC[C@H]1C1=CNC=CC1
InChIInChI=1S/C10H16N2/c1-12-7-3-5-10(12)9-4-2-6-11-8-9/h2,6,8,10-11H,3-5,7H2,1H3/t10-/m0/s1
InChIKeyYKFPBHYPTBLDNN-JTQLQIEISA-N
XLogP1.47
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 ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-[(2S)-1-methylpyrrolidin-2-yl]-1,4-dihydropyridine with MolForge

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

Launch Full Analysis

Related Compounds

5-[(2S)-1-methylpyrrolidin-2-yl]-1,4-dihydropyridine-3-carbaldehyde
CID 58594484
(2R)-1-methyl-2-(4-propan-2-ylphenyl)pyrrolidine
CID 134254909
(2S)-2-(furan-2-yl)-1-methylpyrrolidine
CID 24894514
2-(1-methylpyrrolidin-2-yl)pyrimidine
CID 89060530
4-(1-methylpyrrolidin-2-yl)-1,3-thiazole
CID 143153913
5-(1-methylpyrrolidin-2-yl)-1-prop-1-ynyl-2H-pyridine
CID 67649270
CID 159245541
CID 159245541
1-[5-(1-methylpiperidin-2-yl)-3,4-dihydro-2H-pyridin-1-yl]ethanone
CID 11218329
2-methyl-3-(1-methylpyrrolidin-2-yl)-1H-indole
CID 29442
2-(3,5-ditert-butylphenyl)-1-methylpyrrolidine
CID 102300432
4-methyl-3-(1-methylpyrrolidin-2-yl)benzene-1,2-diamine
CID 23386065
(2S)-2-(4-methoxyphenyl)-1-methylpyrrolidine
CID 92850085

Frequently Asked Questions

What is the IUPAC name of 3-[(2S)-1-methylpyrrolidin-2-yl]-1,4-dihydropyridine?
The IUPAC name of 3-[(2S)-1-methylpyrrolidin-2-yl]-1,4-dihydropyridine (CID 45088833) is 3-[(2S)-1-methylpyrrolidin-2-yl]-1,4-dihydropyridine.
What is the SMILES notation for 3-[(2S)-1-methylpyrrolidin-2-yl]-1,4-dihydropyridine?
The canonical SMILES for 3-[(2S)-1-methylpyrrolidin-2-yl]-1,4-dihydropyridine is CN1CCC[C@H]1C1=CNC=CC1.
What is the InChIKey of 3-[(2S)-1-methylpyrrolidin-2-yl]-1,4-dihydropyridine?
The InChIKey is YKFPBHYPTBLDNN-JTQLQIEISA-N. The full InChI is InChI=1S/C10H16N2/c1-12-7-3-5-10(12)9-4-2-6-11-8-9/h2,6,8,10-11H,3-5,7H2,1H3/t10-/m0/s1.
What are the key properties of 3-[(2S)-1-methylpyrrolidin-2-yl]-1,4-dihydropyridine?
3-[(2S)-1-methylpyrrolidin-2-yl]-1,4-dihydropyridine has a molecular weight of 164.25 g/mol, XLogP of 1.47, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2S)-1-methylpyrrolidin-2-yl]-1,4-dihydropyridine is sourced from PubChem (CID 45088833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).