2-pyrrolidin-1-yl-2,3,4,5-tetrahydropyridine

C9H16N2 — CID 19865901

IUPAC2-pyrrolidin-1-yl-2,3,4,5-tetrahydropyridine
SMILESC1=NC(N2CCCC2)CCC1
InChIInChI=1S/C9H16N2/c1-2-6-10-9(5-1)11-7-3-4-8-11/h6,9H,1-5,7-8H2
InChIKeyYWKWWXPNNXQCFZ-UHFFFAOYSA-N
MW152.24 g/mol
LogP1.66
Rot. Bonds1

About 2-pyrrolidin-1-yl-2,3,4,5-tetrahydropyridine

2-pyrrolidin-1-yl-2,3,4,5-tetrahydropyridine (PubChem CID 19865901) has the molecular formula C9H16N2 and a molecular weight of 152.24 g/mol. Its IUPAC name is 2-pyrrolidin-1-yl-2,3,4,5-tetrahydropyridine.

Molecular Properties

Compound Name2-pyrrolidin-1-yl-2,3,4,5-tetrahydropyridine
PubChem CID19865901
Molecular FormulaC9H16N2
Molecular Weight152.24 g/mol
Exact Mass152.13
IUPAC Name2-pyrrolidin-1-yl-2,3,4,5-tetrahydropyridine
SMILESC1=NC(N2CCCC2)CCC1
InChIInChI=1S/C9H16N2/c1-2-6-10-9(5-1)11-7-3-4-8-11/h6,9H,1-5,7-8H2
InChIKeyYWKWWXPNNXQCFZ-UHFFFAOYSA-N
XLogP1.66
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.24
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-pyrrolidin-1-yl-2,3,4,5-tetrahydropyridine?
The IUPAC name of 2-pyrrolidin-1-yl-2,3,4,5-tetrahydropyridine (CID 19865901) is 2-pyrrolidin-1-yl-2,3,4,5-tetrahydropyridine.
What is the SMILES notation for 2-pyrrolidin-1-yl-2,3,4,5-tetrahydropyridine?
The canonical SMILES for 2-pyrrolidin-1-yl-2,3,4,5-tetrahydropyridine is C1=NC(N2CCCC2)CCC1.
What is the InChIKey of 2-pyrrolidin-1-yl-2,3,4,5-tetrahydropyridine?
The InChIKey is YWKWWXPNNXQCFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2/c1-2-6-10-9(5-1)11-7-3-4-8-11/h6,9H,1-5,7-8H2.
What are the key properties of 2-pyrrolidin-1-yl-2,3,4,5-tetrahydropyridine?
2-pyrrolidin-1-yl-2,3,4,5-tetrahydropyridine has a molecular weight of 152.24 g/mol, XLogP of 1.66, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyrrolidin-1-yl-2,3,4,5-tetrahydropyridine is sourced from PubChem (CID 19865901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).