3-pyrrolidin-1-yl-2,3-dihydropyridine

C9H14N2 — CID 22928866

IUPAC3-pyrrolidin-1-yl-2,3-dihydropyridine
SMILESC1=CC(N2CCCC2)CN=C1
InChIInChI=1S/C9H14N2/c1-2-7-11(6-1)9-4-3-5-10-8-9/h3-5,9H,1-2,6-8H2
InChIKeyTUNRJXYPDROWNC-UHFFFAOYSA-N
MW150.22 g/mol
LogP1.09
Rot. Bonds1

About 3-pyrrolidin-1-yl-2,3-dihydropyridine

3-pyrrolidin-1-yl-2,3-dihydropyridine (PubChem CID 22928866) has the molecular formula C9H14N2 and a molecular weight of 150.22 g/mol. Its IUPAC name is 3-pyrrolidin-1-yl-2,3-dihydropyridine.

Molecular Properties

Compound Name3-pyrrolidin-1-yl-2,3-dihydropyridine
PubChem CID22928866
Molecular FormulaC9H14N2
Molecular Weight150.22 g/mol
Exact Mass150.12
IUPAC Name3-pyrrolidin-1-yl-2,3-dihydropyridine
SMILESC1=CC(N2CCCC2)CN=C1
InChIInChI=1S/C9H14N2/c1-2-7-11(6-1)9-4-3-5-10-8-9/h3-5,9H,1-2,6-8H2
InChIKeyTUNRJXYPDROWNC-UHFFFAOYSA-N
XLogP1.09
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.22
LogP ≤ 51.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-pyrrolidin-1-yl-2,3-dihydropyridine?
The IUPAC name of 3-pyrrolidin-1-yl-2,3-dihydropyridine (CID 22928866) is 3-pyrrolidin-1-yl-2,3-dihydropyridine.
What is the SMILES notation for 3-pyrrolidin-1-yl-2,3-dihydropyridine?
The canonical SMILES for 3-pyrrolidin-1-yl-2,3-dihydropyridine is C1=CC(N2CCCC2)CN=C1.
What is the InChIKey of 3-pyrrolidin-1-yl-2,3-dihydropyridine?
The InChIKey is TUNRJXYPDROWNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2/c1-2-7-11(6-1)9-4-3-5-10-8-9/h3-5,9H,1-2,6-8H2.
What are the key properties of 3-pyrrolidin-1-yl-2,3-dihydropyridine?
3-pyrrolidin-1-yl-2,3-dihydropyridine has a molecular weight of 150.22 g/mol, XLogP of 1.09, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pyrrolidin-1-yl-2,3-dihydropyridine is sourced from PubChem (CID 22928866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).