3-[(1-ethenylpyrrolidin-3-yl)methyl]pyridine

C12H16N2 — CID 175739171

IUPAC3-[(1-ethenylpyrrolidin-3-yl)methyl]pyridine
SMILESC=CN1CCC(Cc2cccnc2)C1
InChIInChI=1S/C12H16N2/c1-2-14-7-5-12(10-14)8-11-4-3-6-13-9-11/h2-4,6,9,12H,1,5,7-8,10H2
InChIKeyLIFIZGMAGRCAGI-UHFFFAOYSA-N
MW188.27 g/mol
LogP2.09
Rot. Bonds3

About 3-[(1-ethenylpyrrolidin-3-yl)methyl]pyridine

3-[(1-ethenylpyrrolidin-3-yl)methyl]pyridine (PubChem CID 175739171) has the molecular formula C12H16N2 and a molecular weight of 188.27 g/mol. Its IUPAC name is 3-[(1-ethenylpyrrolidin-3-yl)methyl]pyridine.

Molecular Properties

Compound Name3-[(1-ethenylpyrrolidin-3-yl)methyl]pyridine
PubChem CID175739171
Molecular FormulaC12H16N2
Molecular Weight188.27 g/mol
Exact Mass188.13
IUPAC Name3-[(1-ethenylpyrrolidin-3-yl)methyl]pyridine
SMILESC=CN1CCC(Cc2cccnc2)C1
InChIInChI=1S/C12H16N2/c1-2-14-7-5-12(10-14)8-11-4-3-6-13-9-11/h2-4,6,9,12H,1,5,7-8,10H2
InChIKeyLIFIZGMAGRCAGI-UHFFFAOYSA-N
XLogP2.09
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(1-tert-butylpiperidin-4-yl)methyl]pyridine
CID 121450514
3-[(1-methylsulfonylpyrrolidin-3-yl)methyl]pyridine
CID 110269303
3-[(1-ethylpiperidin-4-yl)methyl]pyridine
CID 95821334
3-[(1-pyridin-3-ylsulfonylpyrrolidin-3-yl)methyl]pyridine
CID 166622070
2-hydroxy-1-[3-(pyridin-3-ylmethyl)pyrrolidin-1-yl]ethanone
CID 110269394
4-methyl-6-[(3R)-3-(pyridin-3-ylmethyl)pyrrolidin-1-yl]pyrimidine
CID 124945029
2-hydroxy-1-[(3R)-3-(pyridin-3-ylmethyl)piperidin-1-yl]ethanone
CID 95841872
3-[[1-(piperidin-4-ylmethyl)piperidin-4-yl]methyl]pyridine;hydrochloride
CID 120849136
3-(oxan-4-ylmethyl)pyridine;hydrochloride
CID 175648027
pyridin-4-yl-[3-(pyridin-3-ylmethyl)piperidin-1-yl]methanone
CID 110096200
(E)-1-(3-benzylpyrrolidin-1-yl)-3-pyridin-3-ylprop-2-en-1-one
CID 75407724
[(2S)-oxolan-2-yl]-[4-(pyridin-3-ylmethyl)piperidin-1-yl]methanone
CID 136580768

Frequently Asked Questions

What is the IUPAC name of 3-[(1-ethenylpyrrolidin-3-yl)methyl]pyridine?
The IUPAC name of 3-[(1-ethenylpyrrolidin-3-yl)methyl]pyridine (CID 175739171) is 3-[(1-ethenylpyrrolidin-3-yl)methyl]pyridine.
What is the SMILES notation for 3-[(1-ethenylpyrrolidin-3-yl)methyl]pyridine?
The canonical SMILES for 3-[(1-ethenylpyrrolidin-3-yl)methyl]pyridine is C=CN1CCC(Cc2cccnc2)C1.
What is the InChIKey of 3-[(1-ethenylpyrrolidin-3-yl)methyl]pyridine?
The InChIKey is LIFIZGMAGRCAGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2/c1-2-14-7-5-12(10-14)8-11-4-3-6-13-9-11/h2-4,6,9,12H,1,5,7-8,10H2.
What are the key properties of 3-[(1-ethenylpyrrolidin-3-yl)methyl]pyridine?
3-[(1-ethenylpyrrolidin-3-yl)methyl]pyridine has a molecular weight of 188.27 g/mol, XLogP of 2.09, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-ethenylpyrrolidin-3-yl)methyl]pyridine is sourced from PubChem (CID 175739171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).