4-(prop-2-enoxymethyl)-2-[4-(prop-2-enoxymethyl)-2-pyridinyl]pyridine

C18H20N2O2 — CID 102298376

IUPAC4-(prop-2-enoxymethyl)-2-[4-(prop-2-enoxymethyl)-2-pyridinyl]pyridine
SMILESC=CCOCc1ccnc(-c2cc(COCC=C)ccn2)c1
InChIInChI=1S/C18H20N2O2/c1-3-9-21-13-15-5-7-19-17(11-15)18-12-16(6-8-20-18)14-22-10-4-2/h3-8,11-12H,1-2,9-10,13-14H2
InChIKeyITSPKJHRRJSTRT-UHFFFAOYSA-N
MW296.37 g/mol
LogP3.55
Rot. Bonds9

About 4-(prop-2-enoxymethyl)-2-[4-(prop-2-enoxymethyl)-2-pyridinyl]pyridine

4-(prop-2-enoxymethyl)-2-[4-(prop-2-enoxymethyl)-2-pyridinyl]pyridine (PubChem CID 102298376) has the molecular formula C18H20N2O2 and a molecular weight of 296.37 g/mol. Its IUPAC name is 4-(prop-2-enoxymethyl)-2-[4-(prop-2-enoxymethyl)-2-pyridinyl]pyridine.

Molecular Properties

Compound Name4-(prop-2-enoxymethyl)-2-[4-(prop-2-enoxymethyl)-2-pyridinyl]pyridine
PubChem CID102298376
Molecular FormulaC18H20N2O2
Molecular Weight296.37 g/mol
Exact Mass296.15
IUPAC Name4-(prop-2-enoxymethyl)-2-[4-(prop-2-enoxymethyl)-2-pyridinyl]pyridine
SMILESC=CCOCc1ccnc(-c2cc(COCC=C)ccn2)c1
InChIInChI=1S/C18H20N2O2/c1-3-9-21-13-15-5-7-19-17(11-15)18-12-16(6-8-20-18)14-22-10-4-2/h3-8,11-12H,1-2,9-10,13-14H2
InChIKeyITSPKJHRRJSTRT-UHFFFAOYSA-N
XLogP3.55
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(prop-2-enoxymethyl)-2-[4-(prop-2-enoxymethyl)-2-pyridinyl]pyridine?
The IUPAC name of 4-(prop-2-enoxymethyl)-2-[4-(prop-2-enoxymethyl)-2-pyridinyl]pyridine (CID 102298376) is 4-(prop-2-enoxymethyl)-2-[4-(prop-2-enoxymethyl)-2-pyridinyl]pyridine.
What is the SMILES notation for 4-(prop-2-enoxymethyl)-2-[4-(prop-2-enoxymethyl)-2-pyridinyl]pyridine?
The canonical SMILES for 4-(prop-2-enoxymethyl)-2-[4-(prop-2-enoxymethyl)-2-pyridinyl]pyridine is C=CCOCc1ccnc(-c2cc(COCC=C)ccn2)c1.
What is the InChIKey of 4-(prop-2-enoxymethyl)-2-[4-(prop-2-enoxymethyl)-2-pyridinyl]pyridine?
The InChIKey is ITSPKJHRRJSTRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O2/c1-3-9-21-13-15-5-7-19-17(11-15)18-12-16(6-8-20-18)14-22-10-4-2/h3-8,11-12H,1-2,9-10,13-14H2.
What are the key properties of 4-(prop-2-enoxymethyl)-2-[4-(prop-2-enoxymethyl)-2-pyridinyl]pyridine?
4-(prop-2-enoxymethyl)-2-[4-(prop-2-enoxymethyl)-2-pyridinyl]pyridine has a molecular weight of 296.37 g/mol, XLogP of 3.55, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(prop-2-enoxymethyl)-2-[4-(prop-2-enoxymethyl)-2-pyridinyl]pyridine is sourced from PubChem (CID 102298376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).