5-(1-methylpyrrolidin-2-yl)-3,4-dihydropyridine

C10H16N2 — CID 57007517

IUPAC5-(1-methylpyrrolidin-2-yl)-3,4-dihydropyridine
SMILESCN1CCCC1C1=CN=CCC1
InChIInChI=1S/C10H16N2/c1-12-7-3-5-10(12)9-4-2-6-11-8-9/h6,8,10H,2-5,7H2,1H3
InChIKeyQAMNNYBJKFYAMD-UHFFFAOYSA-N
MW164.25 g/mol
LogP1.83
Rot. Bonds1

About 5-(1-methylpyrrolidin-2-yl)-3,4-dihydropyridine

5-(1-methylpyrrolidin-2-yl)-3,4-dihydropyridine (PubChem CID 57007517) has the molecular formula C10H16N2 and a molecular weight of 164.25 g/mol. Its IUPAC name is 5-(1-methylpyrrolidin-2-yl)-3,4-dihydropyridine.

Molecular Properties

Compound Name5-(1-methylpyrrolidin-2-yl)-3,4-dihydropyridine
PubChem CID57007517
Molecular FormulaC10H16N2
Molecular Weight164.25 g/mol
Exact Mass164.13
IUPAC Name5-(1-methylpyrrolidin-2-yl)-3,4-dihydropyridine
SMILESCN1CCCC1C1=CN=CCC1
InChIInChI=1S/C10H16N2/c1-12-7-3-5-10(12)9-4-2-6-11-8-9/h6,8,10H,2-5,7H2,1H3
InChIKeyQAMNNYBJKFYAMD-UHFFFAOYSA-N
XLogP1.83
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.25
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(1-methylpyrrolidin-2-yl)-3,4-dihydropyridine?
The IUPAC name of 5-(1-methylpyrrolidin-2-yl)-3,4-dihydropyridine (CID 57007517) is 5-(1-methylpyrrolidin-2-yl)-3,4-dihydropyridine.
What is the SMILES notation for 5-(1-methylpyrrolidin-2-yl)-3,4-dihydropyridine?
The canonical SMILES for 5-(1-methylpyrrolidin-2-yl)-3,4-dihydropyridine is CN1CCCC1C1=CN=CCC1.
What is the InChIKey of 5-(1-methylpyrrolidin-2-yl)-3,4-dihydropyridine?
The InChIKey is QAMNNYBJKFYAMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2/c1-12-7-3-5-10(12)9-4-2-6-11-8-9/h6,8,10H,2-5,7H2,1H3.
What are the key properties of 5-(1-methylpyrrolidin-2-yl)-3,4-dihydropyridine?
5-(1-methylpyrrolidin-2-yl)-3,4-dihydropyridine has a molecular weight of 164.25 g/mol, XLogP of 1.83, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-methylpyrrolidin-2-yl)-3,4-dihydropyridine is sourced from PubChem (CID 57007517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).