3-[(3-methoxyazetidin-1-yl)methyl]-5-prop-1-en-2-ylpyridine

C13H18N2O — CID 123637445

IUPAC3-[(3-methoxyazetidin-1-yl)methyl]-5-prop-1-en-2-ylpyridine
SMILESC=C(C)c1cncc(CN2CC(OC)C2)c1
InChIInChI=1S/C13H18N2O/c1-10(2)12-4-11(5-14-6-12)7-15-8-13(9-15)16-3/h4-6,13H,1,7-9H2,2-3H3
InChIKeyQTCPUNZURSOSQD-UHFFFAOYSA-N
MW218.30 g/mol
LogP1.95
Rot. Bonds4

About 3-[(3-methoxyazetidin-1-yl)methyl]-5-prop-1-en-2-ylpyridine

3-[(3-methoxyazetidin-1-yl)methyl]-5-prop-1-en-2-ylpyridine (PubChem CID 123637445) has the molecular formula C13H18N2O and a molecular weight of 218.30 g/mol. Its IUPAC name is 3-[(3-methoxyazetidin-1-yl)methyl]-5-prop-1-en-2-ylpyridine.

Molecular Properties

Compound Name3-[(3-methoxyazetidin-1-yl)methyl]-5-prop-1-en-2-ylpyridine
PubChem CID123637445
Molecular FormulaC13H18N2O
Molecular Weight218.30 g/mol
Exact Mass218.14
IUPAC Name3-[(3-methoxyazetidin-1-yl)methyl]-5-prop-1-en-2-ylpyridine
SMILESC=C(C)c1cncc(CN2CC(OC)C2)c1
InChIInChI=1S/C13H18N2O/c1-10(2)12-4-11(5-14-6-12)7-15-8-13(9-15)16-3/h4-6,13H,1,7-9H2,2-3H3
InChIKeyQTCPUNZURSOSQD-UHFFFAOYSA-N
XLogP1.95
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-bromo-5-[(3-methoxyazetidin-1-yl)methyl]pyridine
CID 130159726
N-[2-(5-prop-1-en-2-yl-3-pyridinyl)ethylidene]hydroxylamine
CID 173104838
1-[(3-bromophenyl)methyl]-3-methoxyazetidine
CID 130548246
1-[(5-bromothiophen-3-yl)methyl]-3-methoxyazetidine
CID 130703844
5-[(3-ethoxyazetidin-1-yl)methyl]pyrimidine
CID 175956804
1-[(5-bromo-3-pyridinyl)methyl]-4-methylpyrrolidin-3-ol
CID 130770082
(NE)-N-[3-ethyl-1-[(5-methyl-3-pyridinyl)methyl]piperidin-4-ylidene]hydroxylamine
CID 102881422
3-bromo-5-prop-1-en-2-ylpyridine
CID 86707020
1-[(5-fluoro-3-pyridinyl)methyl]-3,5-dimethylpiperazine
CID 104973765
1-[(4-prop-1-en-2-ylphenyl)methyl]azetidine-3-carboxylic acid
CID 89076293
methyl 5-ethylpyridine-3-carboxylate
CID 5323747
4-[(3-methoxypiperidin-1-yl)methyl]pyridine
CID 131702809

Frequently Asked Questions

What is the IUPAC name of 3-[(3-methoxyazetidin-1-yl)methyl]-5-prop-1-en-2-ylpyridine?
The IUPAC name of 3-[(3-methoxyazetidin-1-yl)methyl]-5-prop-1-en-2-ylpyridine (CID 123637445) is 3-[(3-methoxyazetidin-1-yl)methyl]-5-prop-1-en-2-ylpyridine.
What is the SMILES notation for 3-[(3-methoxyazetidin-1-yl)methyl]-5-prop-1-en-2-ylpyridine?
The canonical SMILES for 3-[(3-methoxyazetidin-1-yl)methyl]-5-prop-1-en-2-ylpyridine is C=C(C)c1cncc(CN2CC(OC)C2)c1.
What is the InChIKey of 3-[(3-methoxyazetidin-1-yl)methyl]-5-prop-1-en-2-ylpyridine?
The InChIKey is QTCPUNZURSOSQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O/c1-10(2)12-4-11(5-14-6-12)7-15-8-13(9-15)16-3/h4-6,13H,1,7-9H2,2-3H3.
What are the key properties of 3-[(3-methoxyazetidin-1-yl)methyl]-5-prop-1-en-2-ylpyridine?
3-[(3-methoxyazetidin-1-yl)methyl]-5-prop-1-en-2-ylpyridine has a molecular weight of 218.30 g/mol, XLogP of 1.95, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-methoxyazetidin-1-yl)methyl]-5-prop-1-en-2-ylpyridine is sourced from PubChem (CID 123637445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).