4-(2-pyrrolidin-3-ylethyl)pyridine

C11H16N2 — CID 83481928

IUPAC4-(2-pyrrolidin-3-ylethyl)pyridine
SMILESc1cc(CCC2CCNC2)ccn1
InChIInChI=1S/C11H16N2/c1(2-11-5-8-13-9-11)10-3-6-12-7-4-10/h3-4,6-7,11,13H,1-2,5,8-9H2
InChIKeyIXGWPYAWEWPRTG-UHFFFAOYSA-N
MW176.26 g/mol
LogP1.62
Rot. Bonds3

About 4-(2-pyrrolidin-3-ylethyl)pyridine

4-(2-pyrrolidin-3-ylethyl)pyridine (PubChem CID 83481928) has the molecular formula C11H16N2 and a molecular weight of 176.26 g/mol. Its IUPAC name is 4-(2-pyrrolidin-3-ylethyl)pyridine.

Molecular Properties

Compound Name4-(2-pyrrolidin-3-ylethyl)pyridine
PubChem CID83481928
Molecular FormulaC11H16N2
Molecular Weight176.26 g/mol
Exact Mass176.13
IUPAC Name4-(2-pyrrolidin-3-ylethyl)pyridine
SMILESc1cc(CCC2CCNC2)ccn1
InChIInChI=1S/C11H16N2/c1(2-11-5-8-13-9-11)10-3-6-12-7-4-10/h3-4,6-7,11,13H,1-2,5,8-9H2
InChIKeyIXGWPYAWEWPRTG-UHFFFAOYSA-N
XLogP1.62
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.26
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Nicotine
CID 89594
Triprolidine
CID 5282443
Anabasine
CID 205586
Nornicotine
CID 91462
3-(1-Methylpyrrolidin-2-yl)pyridine
CID 942
Prothionamide
CID 666418
3-(Pyrrolidin-2-yl)pyridine
CID 412
(+-)-Anabasine
CID 2181
Myosmine
CID 442649
N-Nitrosonornicotine
CID 12613538
Anabaseine
CID 18985
4-Phenylpyridine
CID 13651

Frequently Asked Questions

What is the IUPAC name of 4-(2-pyrrolidin-3-ylethyl)pyridine?
The IUPAC name of 4-(2-pyrrolidin-3-ylethyl)pyridine (CID 83481928) is 4-(2-pyrrolidin-3-ylethyl)pyridine.
What is the SMILES notation for 4-(2-pyrrolidin-3-ylethyl)pyridine?
The canonical SMILES for 4-(2-pyrrolidin-3-ylethyl)pyridine is c1cc(CCC2CCNC2)ccn1.
What is the InChIKey of 4-(2-pyrrolidin-3-ylethyl)pyridine?
The InChIKey is IXGWPYAWEWPRTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2/c1(2-11-5-8-13-9-11)10-3-6-12-7-4-10/h3-4,6-7,11,13H,1-2,5,8-9H2.
What are the key properties of 4-(2-pyrrolidin-3-ylethyl)pyridine?
4-(2-pyrrolidin-3-ylethyl)pyridine has a molecular weight of 176.26 g/mol, XLogP of 1.62, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-pyrrolidin-3-ylethyl)pyridine is sourced from PubChem (CID 83481928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).