(E)-5-(3-morpholin-4-ylphenoxy)pent-2-enal

C15H19NO3 — CID 102287381

IUPAC(E)-5-(3-morpholin-4-ylphenoxy)pent-2-enal
SMILESO=C/C=C/CCOc1cccc(N2CCOCC2)c1
InChIInChI=1S/C15H19NO3/c17-9-2-1-3-10-19-15-6-4-5-14(13-15)16-7-11-18-12-8-16/h1-2,4-6,9,13H,3,7-8,10-12H2/b2-1+
InChIKeyMBUIMTMUMGHEFG-OWOJBTEDSA-N
MW261.32 g/mol
LogP2.05
Rot. Bonds6

About (E)-5-(3-morpholin-4-ylphenoxy)pent-2-enal

(E)-5-(3-morpholin-4-ylphenoxy)pent-2-enal (PubChem CID 102287381) has the molecular formula C15H19NO3 and a molecular weight of 261.32 g/mol. Its IUPAC name is (E)-5-(3-morpholin-4-ylphenoxy)pent-2-enal.

Molecular Properties

Compound Name(E)-5-(3-morpholin-4-ylphenoxy)pent-2-enal
PubChem CID102287381
Molecular FormulaC15H19NO3
Molecular Weight261.32 g/mol
Exact Mass261.14
IUPAC Name(E)-5-(3-morpholin-4-ylphenoxy)pent-2-enal
SMILESO=C/C=C/CCOc1cccc(N2CCOCC2)c1
InChIInChI=1S/C15H19NO3/c17-9-2-1-3-10-19-15-6-4-5-14(13-15)16-7-11-18-12-8-16/h1-2,4-6,9,13H,3,7-8,10-12H2/b2-1+
InChIKeyMBUIMTMUMGHEFG-OWOJBTEDSA-N
XLogP2.05
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-5-(3-morpholin-4-ylphenoxy)pent-2-enal?
The IUPAC name of (E)-5-(3-morpholin-4-ylphenoxy)pent-2-enal (CID 102287381) is (E)-5-(3-morpholin-4-ylphenoxy)pent-2-enal.
What is the SMILES notation for (E)-5-(3-morpholin-4-ylphenoxy)pent-2-enal?
The canonical SMILES for (E)-5-(3-morpholin-4-ylphenoxy)pent-2-enal is O=C/C=C/CCOc1cccc(N2CCOCC2)c1.
What is the InChIKey of (E)-5-(3-morpholin-4-ylphenoxy)pent-2-enal?
The InChIKey is MBUIMTMUMGHEFG-OWOJBTEDSA-N. The full InChI is InChI=1S/C15H19NO3/c17-9-2-1-3-10-19-15-6-4-5-14(13-15)16-7-11-18-12-8-16/h1-2,4-6,9,13H,3,7-8,10-12H2/b2-1+.
What are the key properties of (E)-5-(3-morpholin-4-ylphenoxy)pent-2-enal?
(E)-5-(3-morpholin-4-ylphenoxy)pent-2-enal has a molecular weight of 261.32 g/mol, XLogP of 2.05, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-5-(3-morpholin-4-ylphenoxy)pent-2-enal is sourced from PubChem (CID 102287381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).