4-(1-phenylpropa-1,2-dienoxy)morpholine

C13H15NO2 — CID 14384579

IUPAC4-(1-phenylpropa-1,2-dienoxy)morpholine
SMILESC=C=C(ON1CCOCC1)c1ccccc1
InChIInChI=1S/C13H15NO2/c1-2-13(12-6-4-3-5-7-12)16-14-8-10-15-11-9-14/h3-7H,1,8-11H2
InChIKeySLZXTSITXYBQLH-UHFFFAOYSA-N
MW217.27 g/mol
LogP2.08
Rot. Bonds3

About 4-(1-phenylpropa-1,2-dienoxy)morpholine

4-(1-phenylpropa-1,2-dienoxy)morpholine (PubChem CID 14384579) has the molecular formula C13H15NO2 and a molecular weight of 217.27 g/mol. Its IUPAC name is 4-(1-phenylpropa-1,2-dienoxy)morpholine.

Molecular Properties

Compound Name4-(1-phenylpropa-1,2-dienoxy)morpholine
PubChem CID14384579
Molecular FormulaC13H15NO2
Molecular Weight217.27 g/mol
Exact Mass217.11
IUPAC Name4-(1-phenylpropa-1,2-dienoxy)morpholine
SMILESC=C=C(ON1CCOCC1)c1ccccc1
InChIInChI=1S/C13H15NO2/c1-2-13(12-6-4-3-5-7-12)16-14-8-10-15-11-9-14/h3-7H,1,8-11H2
InChIKeySLZXTSITXYBQLH-UHFFFAOYSA-N
XLogP2.08
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 4-(1-phenylpropa-1,2-dienoxy)morpholine?
The IUPAC name of 4-(1-phenylpropa-1,2-dienoxy)morpholine (CID 14384579) is 4-(1-phenylpropa-1,2-dienoxy)morpholine.
What is the SMILES notation for 4-(1-phenylpropa-1,2-dienoxy)morpholine?
The canonical SMILES for 4-(1-phenylpropa-1,2-dienoxy)morpholine is C=C=C(ON1CCOCC1)c1ccccc1.
What is the InChIKey of 4-(1-phenylpropa-1,2-dienoxy)morpholine?
The InChIKey is SLZXTSITXYBQLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO2/c1-2-13(12-6-4-3-5-7-12)16-14-8-10-15-11-9-14/h3-7H,1,8-11H2.
What are the key properties of 4-(1-phenylpropa-1,2-dienoxy)morpholine?
4-(1-phenylpropa-1,2-dienoxy)morpholine has a molecular weight of 217.27 g/mol, XLogP of 2.08, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-phenylpropa-1,2-dienoxy)morpholine is sourced from PubChem (CID 14384579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).