6-(pyrrolidin-1-ylmethyl)-3,4-dihydropyridine

C10H16N2 — CID 89122365

IUPAC6-(pyrrolidin-1-ylmethyl)-3,4-dihydropyridine
SMILESC1=NC(CN2CCCC2)=CCC1
InChIInChI=1S/C10H16N2/c1-2-6-11-10(5-1)9-12-7-3-4-8-12/h5-6H,1-4,7-9H2
InChIKeyLMDWWRQCPIBSAS-UHFFFAOYSA-N
MW164.25 g/mol
LogP1.83
Rot. Bonds2

About 6-(pyrrolidin-1-ylmethyl)-3,4-dihydropyridine

6-(pyrrolidin-1-ylmethyl)-3,4-dihydropyridine (PubChem CID 89122365) has the molecular formula C10H16N2 and a molecular weight of 164.25 g/mol. Its IUPAC name is 6-(pyrrolidin-1-ylmethyl)-3,4-dihydropyridine.

Molecular Properties

Compound Name6-(pyrrolidin-1-ylmethyl)-3,4-dihydropyridine
PubChem CID89122365
Molecular FormulaC10H16N2
Molecular Weight164.25 g/mol
Exact Mass164.13
IUPAC Name6-(pyrrolidin-1-ylmethyl)-3,4-dihydropyridine
SMILESC1=NC(CN2CCCC2)=CCC1
InChIInChI=1S/C10H16N2/c1-2-6-11-10(5-1)9-12-7-3-4-8-12/h5-6H,1-4,7-9H2
InChIKeyLMDWWRQCPIBSAS-UHFFFAOYSA-N
XLogP1.83
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
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 6-(pyrrolidin-1-ylmethyl)-3,4-dihydropyridine?
The IUPAC name of 6-(pyrrolidin-1-ylmethyl)-3,4-dihydropyridine (CID 89122365) is 6-(pyrrolidin-1-ylmethyl)-3,4-dihydropyridine.
What is the SMILES notation for 6-(pyrrolidin-1-ylmethyl)-3,4-dihydropyridine?
The canonical SMILES for 6-(pyrrolidin-1-ylmethyl)-3,4-dihydropyridine is C1=NC(CN2CCCC2)=CCC1.
What is the InChIKey of 6-(pyrrolidin-1-ylmethyl)-3,4-dihydropyridine?
The InChIKey is LMDWWRQCPIBSAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2/c1-2-6-11-10(5-1)9-12-7-3-4-8-12/h5-6H,1-4,7-9H2.
What are the key properties of 6-(pyrrolidin-1-ylmethyl)-3,4-dihydropyridine?
6-(pyrrolidin-1-ylmethyl)-3,4-dihydropyridine has a molecular weight of 164.25 g/mol, XLogP of 1.83, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(pyrrolidin-1-ylmethyl)-3,4-dihydropyridine is sourced from PubChem (CID 89122365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).