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

C9H14N2 — CID 21071163

IUPAC2-pyrrolidin-1-yl-1,2-dihydropyridine
SMILESC1=CNC(N2CCCC2)C=C1
InChIInChI=1S/C9H14N2/c1-2-6-10-9(5-1)11-7-3-4-8-11/h1-2,5-6,9-10H,3-4,7-8H2
InChIKeyWATNDSLVGNUZAW-UHFFFAOYSA-N
MW150.22 g/mol
LogP1.08
Rot. Bonds1

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

2-pyrrolidin-1-yl-1,2-dihydropyridine (PubChem CID 21071163) has the molecular formula C9H14N2 and a molecular weight of 150.22 g/mol. Its IUPAC name is 2-pyrrolidin-1-yl-1,2-dihydropyridine.

Molecular Properties

Compound Name2-pyrrolidin-1-yl-1,2-dihydropyridine
PubChem CID21071163
Molecular FormulaC9H14N2
Molecular Weight150.22 g/mol
Exact Mass150.12
IUPAC Name2-pyrrolidin-1-yl-1,2-dihydropyridine
SMILESC1=CNC(N2CCCC2)C=C1
InChIInChI=1S/C9H14N2/c1-2-6-10-9(5-1)11-7-3-4-8-11/h1-2,5-6,9-10H,3-4,7-8H2
InChIKeyWATNDSLVGNUZAW-UHFFFAOYSA-N
XLogP1.08
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.22
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-pyrrolidin-1-yl-1,2-dihydropyridine?
The IUPAC name of 2-pyrrolidin-1-yl-1,2-dihydropyridine (CID 21071163) is 2-pyrrolidin-1-yl-1,2-dihydropyridine.
What is the SMILES notation for 2-pyrrolidin-1-yl-1,2-dihydropyridine?
The canonical SMILES for 2-pyrrolidin-1-yl-1,2-dihydropyridine is C1=CNC(N2CCCC2)C=C1.
What is the InChIKey of 2-pyrrolidin-1-yl-1,2-dihydropyridine?
The InChIKey is WATNDSLVGNUZAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2/c1-2-6-10-9(5-1)11-7-3-4-8-11/h1-2,5-6,9-10H,3-4,7-8H2.
What are the key properties of 2-pyrrolidin-1-yl-1,2-dihydropyridine?
2-pyrrolidin-1-yl-1,2-dihydropyridine has a molecular weight of 150.22 g/mol, XLogP of 1.08, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyrrolidin-1-yl-1,2-dihydropyridine is sourced from PubChem (CID 21071163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).