6-ethenyl-5-(1-methoxyethenyl)-2-propyl-2,3-dihydropyridine

C13H19NO — CID 123211799

IUPAC6-ethenyl-5-(1-methoxyethenyl)-2-propyl-2,3-dihydropyridine
SMILESC=CC1=NC(CCC)CC=C1C(=C)OC
InChIInChI=1S/C13H19NO/c1-5-7-11-8-9-12(10(3)15-4)13(6-2)14-11/h6,9,11H,2-3,5,7-8H2,1,4H3
InChIKeyAANRNVOMYWHVMT-UHFFFAOYSA-N
MW205.30 g/mol
LogP3.27
Rot. Bonds5

About 6-ethenyl-5-(1-methoxyethenyl)-2-propyl-2,3-dihydropyridine

6-ethenyl-5-(1-methoxyethenyl)-2-propyl-2,3-dihydropyridine (PubChem CID 123211799) has the molecular formula C13H19NO and a molecular weight of 205.30 g/mol. Its IUPAC name is 6-ethenyl-5-(1-methoxyethenyl)-2-propyl-2,3-dihydropyridine.

Molecular Properties

Compound Name6-ethenyl-5-(1-methoxyethenyl)-2-propyl-2,3-dihydropyridine
PubChem CID123211799
Molecular FormulaC13H19NO
Molecular Weight205.30 g/mol
Exact Mass205.15
IUPAC Name6-ethenyl-5-(1-methoxyethenyl)-2-propyl-2,3-dihydropyridine
SMILESC=CC1=NC(CCC)CC=C1C(=C)OC
InChIInChI=1S/C13H19NO/c1-5-7-11-8-9-12(10(3)15-4)13(6-2)14-11/h6,9,11H,2-3,5,7-8H2,1,4H3
InChIKeyAANRNVOMYWHVMT-UHFFFAOYSA-N
XLogP3.27
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 53.27
H-Bond Donors ≤ 50
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 6-ethenyl-5-(1-methoxyethenyl)-2-propyl-2,3-dihydropyridine?
The IUPAC name of 6-ethenyl-5-(1-methoxyethenyl)-2-propyl-2,3-dihydropyridine (CID 123211799) is 6-ethenyl-5-(1-methoxyethenyl)-2-propyl-2,3-dihydropyridine.
What is the SMILES notation for 6-ethenyl-5-(1-methoxyethenyl)-2-propyl-2,3-dihydropyridine?
The canonical SMILES for 6-ethenyl-5-(1-methoxyethenyl)-2-propyl-2,3-dihydropyridine is C=CC1=NC(CCC)CC=C1C(=C)OC.
What is the InChIKey of 6-ethenyl-5-(1-methoxyethenyl)-2-propyl-2,3-dihydropyridine?
The InChIKey is AANRNVOMYWHVMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO/c1-5-7-11-8-9-12(10(3)15-4)13(6-2)14-11/h6,9,11H,2-3,5,7-8H2,1,4H3.
What are the key properties of 6-ethenyl-5-(1-methoxyethenyl)-2-propyl-2,3-dihydropyridine?
6-ethenyl-5-(1-methoxyethenyl)-2-propyl-2,3-dihydropyridine has a molecular weight of 205.30 g/mol, XLogP of 3.27, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethenyl-5-(1-methoxyethenyl)-2-propyl-2,3-dihydropyridine is sourced from PubChem (CID 123211799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).