1-[2-(azetidin-3-ylidene)propyl]-4-(methoxymethyl)-3,6-dihydro-2H-pyridine

C13H22N2O — CID 114411111

IUPAC1-[2-(azetidin-3-ylidene)propyl]-4-(methoxymethyl)-3,6-dihydro-2H-pyridine
SMILESCOCC1=CCN(CC(C)=C2CNC2)CC1
InChIInChI=1S/C13H22N2O/c1-11(13-7-14-8-13)9-15-5-3-12(4-6-15)10-16-2/h3,14H,4-10H2,1-2H3
InChIKeyXDDJCTNSGNIZDD-UHFFFAOYSA-N
MW222.33 g/mol
LogP1.18
Rot. Bonds4

About 1-[2-(azetidin-3-ylidene)propyl]-4-(methoxymethyl)-3,6-dihydro-2H-pyridine

1-[2-(azetidin-3-ylidene)propyl]-4-(methoxymethyl)-3,6-dihydro-2H-pyridine (PubChem CID 114411111) has the molecular formula C13H22N2O and a molecular weight of 222.33 g/mol. Its IUPAC name is 1-[2-(azetidin-3-ylidene)propyl]-4-(methoxymethyl)-3,6-dihydro-2H-pyridine.

Molecular Properties

Compound Name1-[2-(azetidin-3-ylidene)propyl]-4-(methoxymethyl)-3,6-dihydro-2H-pyridine
PubChem CID114411111
Molecular FormulaC13H22N2O
Molecular Weight222.33 g/mol
Exact Mass222.17
IUPAC Name1-[2-(azetidin-3-ylidene)propyl]-4-(methoxymethyl)-3,6-dihydro-2H-pyridine
SMILESCOCC1=CCN(CC(C)=C2CNC2)CC1
InChIInChI=1S/C13H22N2O/c1-11(13-7-14-8-13)9-15-5-3-12(4-6-15)10-16-2/h3,14H,4-10H2,1-2H3
InChIKeyXDDJCTNSGNIZDD-UHFFFAOYSA-N
XLogP1.18
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

4-(Methoxymethyl)-1,2,3,6-tetrahydropyridine
CID 14442217
1-Ethyl-4-methoxymethyl-1,2,3,6-tetrahydropyridine
CID 14442214
4-(methoxymethyl)-1,1-dimethyl-3,6-dihydro-2H-pyridin-1-ium
CID 14442230
(1-methyl-3,6-dihydro-2H-pyridin-4-yl)methoxymethanamine
CID 20756947
4-(Ethoxymethyl)-1,2,3,6-tetrahydropyridin-1-ium
CID 163465648
Methoxy(1,2,3,6-tetrahydropyridin-4-yl)methanamine
CID 163951235
4-(Ethoxymethyl)-1,2,3,6-tetrahydropyridine
CID 84716253
4-(Propan-2-yloxymethyl)-1,2,3,6-tetrahydropyridine
CID 84716602
4-(methoxymethyl)-1-[2-(3-methylazetidin-3-yl)oxyethyl]-3,6-dihydro-2H-pyridine
CID 102657075
7-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]heptan-1-amine
CID 113581631
N-ethyl-4-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]pentan-1-amine
CID 113582032
3-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-2-methyl-N-propylbutan-1-amine
CID 113582038

Frequently Asked Questions

What is the IUPAC name of 1-[2-(azetidin-3-ylidene)propyl]-4-(methoxymethyl)-3,6-dihydro-2H-pyridine?
The IUPAC name of 1-[2-(azetidin-3-ylidene)propyl]-4-(methoxymethyl)-3,6-dihydro-2H-pyridine (CID 114411111) is 1-[2-(azetidin-3-ylidene)propyl]-4-(methoxymethyl)-3,6-dihydro-2H-pyridine.
What is the SMILES notation for 1-[2-(azetidin-3-ylidene)propyl]-4-(methoxymethyl)-3,6-dihydro-2H-pyridine?
The canonical SMILES for 1-[2-(azetidin-3-ylidene)propyl]-4-(methoxymethyl)-3,6-dihydro-2H-pyridine is COCC1=CCN(CC(C)=C2CNC2)CC1.
What is the InChIKey of 1-[2-(azetidin-3-ylidene)propyl]-4-(methoxymethyl)-3,6-dihydro-2H-pyridine?
The InChIKey is XDDJCTNSGNIZDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O/c1-11(13-7-14-8-13)9-15-5-3-12(4-6-15)10-16-2/h3,14H,4-10H2,1-2H3.
What are the key properties of 1-[2-(azetidin-3-ylidene)propyl]-4-(methoxymethyl)-3,6-dihydro-2H-pyridine?
1-[2-(azetidin-3-ylidene)propyl]-4-(methoxymethyl)-3,6-dihydro-2H-pyridine has a molecular weight of 222.33 g/mol, XLogP of 1.18, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(azetidin-3-ylidene)propyl]-4-(methoxymethyl)-3,6-dihydro-2H-pyridine is sourced from PubChem (CID 114411111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).