(E)-1-(4-ethenyl-1,2,3,6-tetrahydropyridin-5-yl)prop-1-en-2-ol

C10H15NO — CID 146178200

IUPAC(E)-1-(4-ethenyl-1,2,3,6-tetrahydropyridin-5-yl)prop-1-en-2-ol
SMILESC=CC1=C(/C=C(\C)O)CNCC1
InChIInChI=1S/C10H15NO/c1-3-9-4-5-11-7-10(9)6-8(2)12/h3,6,11-12H,1,4-5,7H2,2H3/b8-6+
InChIKeyWEMXYLYNKGFWNX-SOFGYWHQSA-N
MW165.24 g/mol
LogP1.92
Rot. Bonds2

About (E)-1-(4-ethenyl-1,2,3,6-tetrahydropyridin-5-yl)prop-1-en-2-ol

(E)-1-(4-ethenyl-1,2,3,6-tetrahydropyridin-5-yl)prop-1-en-2-ol (PubChem CID 146178200) has the molecular formula C10H15NO and a molecular weight of 165.24 g/mol. Its IUPAC name is (E)-1-(4-ethenyl-1,2,3,6-tetrahydropyridin-5-yl)prop-1-en-2-ol.

Molecular Properties

Compound Name(E)-1-(4-ethenyl-1,2,3,6-tetrahydropyridin-5-yl)prop-1-en-2-ol
PubChem CID146178200
Molecular FormulaC10H15NO
Molecular Weight165.24 g/mol
Exact Mass165.12
IUPAC Name(E)-1-(4-ethenyl-1,2,3,6-tetrahydropyridin-5-yl)prop-1-en-2-ol
SMILESC=CC1=C(/C=C(\C)O)CNCC1
InChIInChI=1S/C10H15NO/c1-3-9-4-5-11-7-10(9)6-8(2)12/h3,6,11-12H,1,4-5,7H2,2H3/b8-6+
InChIKeyWEMXYLYNKGFWNX-SOFGYWHQSA-N
XLogP1.92
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.24
LogP ≤ 51.92
H-Bond Donors ≤ 52
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 (E)-1-(4-ethenyl-1,2,3,6-tetrahydropyridin-5-yl)prop-1-en-2-ol?
The IUPAC name of (E)-1-(4-ethenyl-1,2,3,6-tetrahydropyridin-5-yl)prop-1-en-2-ol (CID 146178200) is (E)-1-(4-ethenyl-1,2,3,6-tetrahydropyridin-5-yl)prop-1-en-2-ol.
What is the SMILES notation for (E)-1-(4-ethenyl-1,2,3,6-tetrahydropyridin-5-yl)prop-1-en-2-ol?
The canonical SMILES for (E)-1-(4-ethenyl-1,2,3,6-tetrahydropyridin-5-yl)prop-1-en-2-ol is C=CC1=C(/C=C(\C)O)CNCC1.
What is the InChIKey of (E)-1-(4-ethenyl-1,2,3,6-tetrahydropyridin-5-yl)prop-1-en-2-ol?
The InChIKey is WEMXYLYNKGFWNX-SOFGYWHQSA-N. The full InChI is InChI=1S/C10H15NO/c1-3-9-4-5-11-7-10(9)6-8(2)12/h3,6,11-12H,1,4-5,7H2,2H3/b8-6+.
What are the key properties of (E)-1-(4-ethenyl-1,2,3,6-tetrahydropyridin-5-yl)prop-1-en-2-ol?
(E)-1-(4-ethenyl-1,2,3,6-tetrahydropyridin-5-yl)prop-1-en-2-ol has a molecular weight of 165.24 g/mol, XLogP of 1.92, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-(4-ethenyl-1,2,3,6-tetrahydropyridin-5-yl)prop-1-en-2-ol is sourced from PubChem (CID 146178200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).