(E)-5-morpholin-4-ylpent-3-enal

C9H15NO2 — CID 115013576

IUPAC(E)-5-morpholin-4-ylpent-3-enal
SMILESO=CC/C=C/CN1CCOCC1
InChIInChI=1S/C9H15NO2/c11-7-3-1-2-4-10-5-8-12-9-6-10/h1-2,7H,3-6,8-9H2/b2-1+
InChIKeyQMCPNTBXESILQB-OWOJBTEDSA-N
MW169.22 g/mol
LogP0.46
Rot. Bonds4

About (E)-5-morpholin-4-ylpent-3-enal

(E)-5-morpholin-4-ylpent-3-enal (PubChem CID 115013576) has the molecular formula C9H15NO2 and a molecular weight of 169.22 g/mol. Its IUPAC name is (E)-5-morpholin-4-ylpent-3-enal.

Molecular Properties

Compound Name(E)-5-morpholin-4-ylpent-3-enal
PubChem CID115013576
Molecular FormulaC9H15NO2
Molecular Weight169.22 g/mol
Exact Mass169.11
IUPAC Name(E)-5-morpholin-4-ylpent-3-enal
SMILESO=CC/C=C/CN1CCOCC1
InChIInChI=1S/C9H15NO2/c11-7-3-1-2-4-10-5-8-12-9-6-10/h1-2,7H,3-6,8-9H2/b2-1+
InChIKeyQMCPNTBXESILQB-OWOJBTEDSA-N
XLogP0.46
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.22
LogP ≤ 50.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-5-morpholin-4-ylpent-3-enal?
The IUPAC name of (E)-5-morpholin-4-ylpent-3-enal (CID 115013576) is (E)-5-morpholin-4-ylpent-3-enal.
What is the SMILES notation for (E)-5-morpholin-4-ylpent-3-enal?
The canonical SMILES for (E)-5-morpholin-4-ylpent-3-enal is O=CC/C=C/CN1CCOCC1.
What is the InChIKey of (E)-5-morpholin-4-ylpent-3-enal?
The InChIKey is QMCPNTBXESILQB-OWOJBTEDSA-N. The full InChI is InChI=1S/C9H15NO2/c11-7-3-1-2-4-10-5-8-12-9-6-10/h1-2,7H,3-6,8-9H2/b2-1+.
What are the key properties of (E)-5-morpholin-4-ylpent-3-enal?
(E)-5-morpholin-4-ylpent-3-enal has a molecular weight of 169.22 g/mol, XLogP of 0.46, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-5-morpholin-4-ylpent-3-enal is sourced from PubChem (CID 115013576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).