1-methyl-5-pyrrolidin-1-yl-3,6-dihydro-2H-pyridine

C10H18N2 — CID 71397450

IUPAC1-methyl-5-pyrrolidin-1-yl-3,6-dihydro-2H-pyridine
SMILESCN1CCC=C(N2CCCC2)C1
InChIInChI=1S/C10H18N2/c1-11-6-4-5-10(9-11)12-7-2-3-8-12/h5H,2-4,6-9H2,1H3
InChIKeyGFGMLTYGCVOUFX-UHFFFAOYSA-N
MW166.27 g/mol
LogP1.30
Rot. Bonds1

About 1-methyl-5-pyrrolidin-1-yl-3,6-dihydro-2H-pyridine

1-methyl-5-pyrrolidin-1-yl-3,6-dihydro-2H-pyridine (PubChem CID 71397450) has the molecular formula C10H18N2 and a molecular weight of 166.27 g/mol. Its IUPAC name is 1-methyl-5-pyrrolidin-1-yl-3,6-dihydro-2H-pyridine.

Molecular Properties

Compound Name1-methyl-5-pyrrolidin-1-yl-3,6-dihydro-2H-pyridine
PubChem CID71397450
Molecular FormulaC10H18N2
Molecular Weight166.27 g/mol
Exact Mass166.15
IUPAC Name1-methyl-5-pyrrolidin-1-yl-3,6-dihydro-2H-pyridine
SMILESCN1CCC=C(N2CCCC2)C1
InChIInChI=1S/C10H18N2/c1-11-6-4-5-10(9-11)12-7-2-3-8-12/h5H,2-4,6-9H2,1H3
InChIKeyGFGMLTYGCVOUFX-UHFFFAOYSA-N
XLogP1.30
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.27
LogP ≤ 51.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-pyrrolidin-1-yl-3,6-dihydro-2H-pyridine?
The IUPAC name of 1-methyl-5-pyrrolidin-1-yl-3,6-dihydro-2H-pyridine (CID 71397450) is 1-methyl-5-pyrrolidin-1-yl-3,6-dihydro-2H-pyridine.
What is the SMILES notation for 1-methyl-5-pyrrolidin-1-yl-3,6-dihydro-2H-pyridine?
The canonical SMILES for 1-methyl-5-pyrrolidin-1-yl-3,6-dihydro-2H-pyridine is CN1CCC=C(N2CCCC2)C1.
What is the InChIKey of 1-methyl-5-pyrrolidin-1-yl-3,6-dihydro-2H-pyridine?
The InChIKey is GFGMLTYGCVOUFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2/c1-11-6-4-5-10(9-11)12-7-2-3-8-12/h5H,2-4,6-9H2,1H3.
What are the key properties of 1-methyl-5-pyrrolidin-1-yl-3,6-dihydro-2H-pyridine?
1-methyl-5-pyrrolidin-1-yl-3,6-dihydro-2H-pyridine has a molecular weight of 166.27 g/mol, XLogP of 1.30, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-pyrrolidin-1-yl-3,6-dihydro-2H-pyridine is sourced from PubChem (CID 71397450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).