5-(1-ethoxyethenyl)-6-methyl-1,2,3,4-tetrahydropyridine

C10H17NO — CID 134560919

IUPAC5-(1-ethoxyethenyl)-6-methyl-1,2,3,4-tetrahydropyridine
SMILESC=C(OCC)C1=C(C)NCCC1
InChIInChI=1S/C10H17NO/c1-4-12-9(3)10-6-5-7-11-8(10)2/h11H,3-7H2,1-2H3
InChIKeyOJBDRZFPUOMCGF-UHFFFAOYSA-N
MW167.25 g/mol
LogP2.19
Rot. Bonds3

About 5-(1-ethoxyethenyl)-6-methyl-1,2,3,4-tetrahydropyridine

5-(1-ethoxyethenyl)-6-methyl-1,2,3,4-tetrahydropyridine (PubChem CID 134560919) has the molecular formula C10H17NO and a molecular weight of 167.25 g/mol. Its IUPAC name is 5-(1-ethoxyethenyl)-6-methyl-1,2,3,4-tetrahydropyridine.

Molecular Properties

Compound Name5-(1-ethoxyethenyl)-6-methyl-1,2,3,4-tetrahydropyridine
PubChem CID134560919
Molecular FormulaC10H17NO
Molecular Weight167.25 g/mol
Exact Mass167.13
IUPAC Name5-(1-ethoxyethenyl)-6-methyl-1,2,3,4-tetrahydropyridine
SMILESC=C(OCC)C1=C(C)NCCC1
InChIInChI=1S/C10H17NO/c1-4-12-9(3)10-6-5-7-11-8(10)2/h11H,3-7H2,1-2H3
InChIKeyOJBDRZFPUOMCGF-UHFFFAOYSA-N
XLogP2.19
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.25
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(1-ethoxyethenyl)-6-methyl-1,2,3,4-tetrahydropyridine?
The IUPAC name of 5-(1-ethoxyethenyl)-6-methyl-1,2,3,4-tetrahydropyridine (CID 134560919) is 5-(1-ethoxyethenyl)-6-methyl-1,2,3,4-tetrahydropyridine.
What is the SMILES notation for 5-(1-ethoxyethenyl)-6-methyl-1,2,3,4-tetrahydropyridine?
The canonical SMILES for 5-(1-ethoxyethenyl)-6-methyl-1,2,3,4-tetrahydropyridine is C=C(OCC)C1=C(C)NCCC1.
What is the InChIKey of 5-(1-ethoxyethenyl)-6-methyl-1,2,3,4-tetrahydropyridine?
The InChIKey is OJBDRZFPUOMCGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO/c1-4-12-9(3)10-6-5-7-11-8(10)2/h11H,3-7H2,1-2H3.
What are the key properties of 5-(1-ethoxyethenyl)-6-methyl-1,2,3,4-tetrahydropyridine?
5-(1-ethoxyethenyl)-6-methyl-1,2,3,4-tetrahydropyridine has a molecular weight of 167.25 g/mol, XLogP of 2.19, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-ethoxyethenyl)-6-methyl-1,2,3,4-tetrahydropyridine is sourced from PubChem (CID 134560919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).