2-methyl-6-(pyrrolidin-1-ylmethyl)-1,2-dihydropyridine

C11H18N2 — CID 90305532

IUPAC2-methyl-6-(pyrrolidin-1-ylmethyl)-1,2-dihydropyridine
SMILESCC1C=CC=C(CN2CCCC2)N1
InChIInChI=1S/C11H18N2/c1-10-5-4-6-11(12-10)9-13-7-2-3-8-13/h4-6,10,12H,2-3,7-9H2,1H3
InChIKeyBPMGTJFJAXFWQX-UHFFFAOYSA-N
MW178.28 g/mol
LogP1.51
Rot. Bonds2

About 2-methyl-6-(pyrrolidin-1-ylmethyl)-1,2-dihydropyridine

2-methyl-6-(pyrrolidin-1-ylmethyl)-1,2-dihydropyridine (PubChem CID 90305532) has the molecular formula C11H18N2 and a molecular weight of 178.28 g/mol. Its IUPAC name is 2-methyl-6-(pyrrolidin-1-ylmethyl)-1,2-dihydropyridine.

Molecular Properties

Compound Name2-methyl-6-(pyrrolidin-1-ylmethyl)-1,2-dihydropyridine
PubChem CID90305532
Molecular FormulaC11H18N2
Molecular Weight178.28 g/mol
Exact Mass178.15
IUPAC Name2-methyl-6-(pyrrolidin-1-ylmethyl)-1,2-dihydropyridine
SMILESCC1C=CC=C(CN2CCCC2)N1
InChIInChI=1S/C11H18N2/c1-10-5-4-6-11(12-10)9-13-7-2-3-8-13/h4-6,10,12H,2-3,7-9H2,1H3
InChIKeyBPMGTJFJAXFWQX-UHFFFAOYSA-N
XLogP1.51
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.28
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-(pyrrolidin-1-ylmethyl)-1,2-dihydropyridine?
The IUPAC name of 2-methyl-6-(pyrrolidin-1-ylmethyl)-1,2-dihydropyridine (CID 90305532) is 2-methyl-6-(pyrrolidin-1-ylmethyl)-1,2-dihydropyridine.
What is the SMILES notation for 2-methyl-6-(pyrrolidin-1-ylmethyl)-1,2-dihydropyridine?
The canonical SMILES for 2-methyl-6-(pyrrolidin-1-ylmethyl)-1,2-dihydropyridine is CC1C=CC=C(CN2CCCC2)N1.
What is the InChIKey of 2-methyl-6-(pyrrolidin-1-ylmethyl)-1,2-dihydropyridine?
The InChIKey is BPMGTJFJAXFWQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2/c1-10-5-4-6-11(12-10)9-13-7-2-3-8-13/h4-6,10,12H,2-3,7-9H2,1H3.
What are the key properties of 2-methyl-6-(pyrrolidin-1-ylmethyl)-1,2-dihydropyridine?
2-methyl-6-(pyrrolidin-1-ylmethyl)-1,2-dihydropyridine has a molecular weight of 178.28 g/mol, XLogP of 1.51, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-(pyrrolidin-1-ylmethyl)-1,2-dihydropyridine is sourced from PubChem (CID 90305532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).