3-[(E)-2-[(3S)-pyrrolidin-3-yl]ethenyl]pyridine

C11H14N2 — CID 54584446

IUPAC3-[(E)-2-[(3S)-pyrrolidin-3-yl]ethenyl]pyridine
SMILESC(=C/[C@@H]1CCNC1)\c1cccnc1
InChIInChI=1S/C11H14N2/c1-2-10(8-12-6-1)3-4-11-5-7-13-9-11/h1-4,6,8,11,13H,5,7,9H2/b4-3+/t11-/m1/s1
InChIKeyPSBNIEMSZQGKQW-PGLGOXFNSA-N
MW174.25 g/mol
LogP1.70
Rot. Bonds2

About 3-[(E)-2-[(3S)-pyrrolidin-3-yl]ethenyl]pyridine

3-[(E)-2-[(3S)-pyrrolidin-3-yl]ethenyl]pyridine (PubChem CID 54584446) has the molecular formula C11H14N2 and a molecular weight of 174.25 g/mol. Its IUPAC name is 3-[(E)-2-[(3S)-pyrrolidin-3-yl]ethenyl]pyridine.

Molecular Properties

Compound Name3-[(E)-2-[(3S)-pyrrolidin-3-yl]ethenyl]pyridine
PubChem CID54584446
Molecular FormulaC11H14N2
Molecular Weight174.25 g/mol
Exact Mass174.12
IUPAC Name3-[(E)-2-[(3S)-pyrrolidin-3-yl]ethenyl]pyridine
SMILESC(=C/[C@@H]1CCNC1)\c1cccnc1
InChIInChI=1S/C11H14N2/c1-2-10(8-12-6-1)3-4-11-5-7-13-9-11/h1-4,6,8,11,13H,5,7,9H2/b4-3+/t11-/m1/s1
InChIKeyPSBNIEMSZQGKQW-PGLGOXFNSA-N
XLogP1.70
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.25
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-(2-pyrrolidin-3-ylethenyl)pyrimidine
CID 66633165
5-[(E)-2-pyrrolidin-3-ylethenyl]pyrimidine;hydrochloride
CID 131986793
4-[(E)-2-pyridin-3-ylethenyl]pyrrolidin-2-one
CID 131238216
3-[(E)-2-pyridin-3-ylethenyl]pyridine;zinc
CID 175746701
3-phenoxy-5-[(E)-2-piperidin-4-ylethenyl]pyridine
CID 10016526
(3S)-3-methyl-5-[(Z)-2-phenylethenyl]azepane
CID 142892623
3-(oxan-4-yloxy)-5-(2-pyrrolidin-3-ylethenyl)pyridine
CID 66660650
3-pyrrolidin-3-ylpyridine
CID 3613651
(E)-1-cyclopropyl-3-pyridin-3-ylprop-2-en-1-one
CID 19558824
2-chloro-5-[(E)-2-piperidin-4-ylethenyl]pyridine
CID 10421135
3-[(E)-2-[3,5-bis[(E)-2-pyridin-3-ylethenyl]phenyl]ethenyl]pyridine
CID 175663425
N-(6-oxopiperidin-3-yl)-3-pyridin-3-ylprop-2-enamide
CID 76976653

Frequently Asked Questions

What is the IUPAC name of 3-[(E)-2-[(3S)-pyrrolidin-3-yl]ethenyl]pyridine?
The IUPAC name of 3-[(E)-2-[(3S)-pyrrolidin-3-yl]ethenyl]pyridine (CID 54584446) is 3-[(E)-2-[(3S)-pyrrolidin-3-yl]ethenyl]pyridine.
What is the SMILES notation for 3-[(E)-2-[(3S)-pyrrolidin-3-yl]ethenyl]pyridine?
The canonical SMILES for 3-[(E)-2-[(3S)-pyrrolidin-3-yl]ethenyl]pyridine is C(=C/[C@@H]1CCNC1)\c1cccnc1.
What is the InChIKey of 3-[(E)-2-[(3S)-pyrrolidin-3-yl]ethenyl]pyridine?
The InChIKey is PSBNIEMSZQGKQW-PGLGOXFNSA-N. The full InChI is InChI=1S/C11H14N2/c1-2-10(8-12-6-1)3-4-11-5-7-13-9-11/h1-4,6,8,11,13H,5,7,9H2/b4-3+/t11-/m1/s1.
What are the key properties of 3-[(E)-2-[(3S)-pyrrolidin-3-yl]ethenyl]pyridine?
3-[(E)-2-[(3S)-pyrrolidin-3-yl]ethenyl]pyridine has a molecular weight of 174.25 g/mol, XLogP of 1.70, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(E)-2-[(3S)-pyrrolidin-3-yl]ethenyl]pyridine is sourced from PubChem (CID 54584446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).