4-[(E)-4-phenylmethoxybut-2-enyl]morpholine

C15H21NO2 — CID 134968234

IUPAC4-[(E)-4-phenylmethoxybut-2-enyl]morpholine
SMILESC(=C/CN1CCOCC1)\COCc1ccccc1
InChIInChI=1S/C15H21NO2/c1-2-6-15(7-3-1)14-18-11-5-4-8-16-9-12-17-13-10-16/h1-7H,8-14H2/b5-4+
InChIKeyWGSAVZGBFRYOGG-SNAWJCMRSA-N
MW247.34 g/mol
LogP2.09
Rot. Bonds6

About 4-[(E)-4-phenylmethoxybut-2-enyl]morpholine

4-[(E)-4-phenylmethoxybut-2-enyl]morpholine (PubChem CID 134968234) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is 4-[(E)-4-phenylmethoxybut-2-enyl]morpholine.

Molecular Properties

Compound Name4-[(E)-4-phenylmethoxybut-2-enyl]morpholine
PubChem CID134968234
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC Name4-[(E)-4-phenylmethoxybut-2-enyl]morpholine
SMILESC(=C/CN1CCOCC1)\COCc1ccccc1
InChIInChI=1S/C15H21NO2/c1-2-6-15(7-3-1)14-18-11-5-4-8-16-9-12-17-13-10-16/h1-7H,8-14H2/b5-4+
InChIKeyWGSAVZGBFRYOGG-SNAWJCMRSA-N
XLogP2.09
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-[(E)-4-phenylmethoxybut-2-enyl]morpholine?
The IUPAC name of 4-[(E)-4-phenylmethoxybut-2-enyl]morpholine (CID 134968234) is 4-[(E)-4-phenylmethoxybut-2-enyl]morpholine.
What is the SMILES notation for 4-[(E)-4-phenylmethoxybut-2-enyl]morpholine?
The canonical SMILES for 4-[(E)-4-phenylmethoxybut-2-enyl]morpholine is C(=C/CN1CCOCC1)\COCc1ccccc1.
What is the InChIKey of 4-[(E)-4-phenylmethoxybut-2-enyl]morpholine?
The InChIKey is WGSAVZGBFRYOGG-SNAWJCMRSA-N. The full InChI is InChI=1S/C15H21NO2/c1-2-6-15(7-3-1)14-18-11-5-4-8-16-9-12-17-13-10-16/h1-7H,8-14H2/b5-4+.
What are the key properties of 4-[(E)-4-phenylmethoxybut-2-enyl]morpholine?
4-[(E)-4-phenylmethoxybut-2-enyl]morpholine has a molecular weight of 247.34 g/mol, XLogP of 2.09, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-4-phenylmethoxybut-2-enyl]morpholine is sourced from PubChem (CID 134968234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).