4-(3-prop-2-enoxyphenyl)-1,2,3,6-tetrahydropyridine

C14H17NO — CID 22911551

IUPAC4-(3-prop-2-enoxyphenyl)-1,2,3,6-tetrahydropyridine
SMILESC=CCOc1cccc(C2=CCNCC2)c1
InChIInChI=1S/C14H17NO/c1-2-10-16-14-5-3-4-13(11-14)12-6-8-15-9-7-12/h2-6,11,15H,1,7-10H2
InChIKeyPKWNXJYBJJUCNA-UHFFFAOYSA-N
MW215.30 g/mol
LogP2.63
Rot. Bonds4

About 4-(3-prop-2-enoxyphenyl)-1,2,3,6-tetrahydropyridine

4-(3-prop-2-enoxyphenyl)-1,2,3,6-tetrahydropyridine (PubChem CID 22911551) has the molecular formula C14H17NO and a molecular weight of 215.30 g/mol. Its IUPAC name is 4-(3-prop-2-enoxyphenyl)-1,2,3,6-tetrahydropyridine.

Molecular Properties

Compound Name4-(3-prop-2-enoxyphenyl)-1,2,3,6-tetrahydropyridine
PubChem CID22911551
Molecular FormulaC14H17NO
Molecular Weight215.30 g/mol
Exact Mass215.13
IUPAC Name4-(3-prop-2-enoxyphenyl)-1,2,3,6-tetrahydropyridine
SMILESC=CCOc1cccc(C2=CCNCC2)c1
InChIInChI=1S/C14H17NO/c1-2-10-16-14-5-3-4-13(11-14)12-6-8-15-9-7-12/h2-6,11,15H,1,7-10H2
InChIKeyPKWNXJYBJJUCNA-UHFFFAOYSA-N
XLogP2.63
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(3-prop-2-enoxyphenyl)-1,2,3,6-tetrahydropyridine?
The IUPAC name of 4-(3-prop-2-enoxyphenyl)-1,2,3,6-tetrahydropyridine (CID 22911551) is 4-(3-prop-2-enoxyphenyl)-1,2,3,6-tetrahydropyridine.
What is the SMILES notation for 4-(3-prop-2-enoxyphenyl)-1,2,3,6-tetrahydropyridine?
The canonical SMILES for 4-(3-prop-2-enoxyphenyl)-1,2,3,6-tetrahydropyridine is C=CCOc1cccc(C2=CCNCC2)c1.
What is the InChIKey of 4-(3-prop-2-enoxyphenyl)-1,2,3,6-tetrahydropyridine?
The InChIKey is PKWNXJYBJJUCNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO/c1-2-10-16-14-5-3-4-13(11-14)12-6-8-15-9-7-12/h2-6,11,15H,1,7-10H2.
What are the key properties of 4-(3-prop-2-enoxyphenyl)-1,2,3,6-tetrahydropyridine?
4-(3-prop-2-enoxyphenyl)-1,2,3,6-tetrahydropyridine has a molecular weight of 215.30 g/mol, XLogP of 2.63, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-prop-2-enoxyphenyl)-1,2,3,6-tetrahydropyridine is sourced from PubChem (CID 22911551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).