4-[(E)-3-morpholin-4-ylprop-1-enyl]benzaldehyde

C14H17NO2 — CID 18936578

IUPAC4-[(E)-3-morpholin-4-ylprop-1-enyl]benzaldehyde
SMILESO=Cc1ccc(/C=C/CN2CCOCC2)cc1
InChIInChI=1S/C14H17NO2/c16-12-14-5-3-13(4-6-14)2-1-7-15-8-10-17-11-9-15/h1-6,12H,7-11H2/b2-1+
InChIKeyQDNAJEJDXUCLPO-OWOJBTEDSA-N
MW231.30 g/mol
LogP1.84
Rot. Bonds4

About 4-[(E)-3-morpholin-4-ylprop-1-enyl]benzaldehyde

4-[(E)-3-morpholin-4-ylprop-1-enyl]benzaldehyde (PubChem CID 18936578) has the molecular formula C14H17NO2 and a molecular weight of 231.30 g/mol. Its IUPAC name is 4-[(E)-3-morpholin-4-ylprop-1-enyl]benzaldehyde.

Molecular Properties

Compound Name4-[(E)-3-morpholin-4-ylprop-1-enyl]benzaldehyde
PubChem CID18936578
Molecular FormulaC14H17NO2
Molecular Weight231.30 g/mol
Exact Mass231.13
IUPAC Name4-[(E)-3-morpholin-4-ylprop-1-enyl]benzaldehyde
SMILESO=Cc1ccc(/C=C/CN2CCOCC2)cc1
InChIInChI=1S/C14H17NO2/c16-12-14-5-3-13(4-6-14)2-1-7-15-8-10-17-11-9-15/h1-6,12H,7-11H2/b2-1+
InChIKeyQDNAJEJDXUCLPO-OWOJBTEDSA-N
XLogP1.84
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[(E)-3-morpholin-4-ylprop-1-enyl]benzaldehyde?
The IUPAC name of 4-[(E)-3-morpholin-4-ylprop-1-enyl]benzaldehyde (CID 18936578) is 4-[(E)-3-morpholin-4-ylprop-1-enyl]benzaldehyde.
What is the SMILES notation for 4-[(E)-3-morpholin-4-ylprop-1-enyl]benzaldehyde?
The canonical SMILES for 4-[(E)-3-morpholin-4-ylprop-1-enyl]benzaldehyde is O=Cc1ccc(/C=C/CN2CCOCC2)cc1.
What is the InChIKey of 4-[(E)-3-morpholin-4-ylprop-1-enyl]benzaldehyde?
The InChIKey is QDNAJEJDXUCLPO-OWOJBTEDSA-N. The full InChI is InChI=1S/C14H17NO2/c16-12-14-5-3-13(4-6-14)2-1-7-15-8-10-17-11-9-15/h1-6,12H,7-11H2/b2-1+.
What are the key properties of 4-[(E)-3-morpholin-4-ylprop-1-enyl]benzaldehyde?
4-[(E)-3-morpholin-4-ylprop-1-enyl]benzaldehyde has a molecular weight of 231.30 g/mol, XLogP of 1.84, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-3-morpholin-4-ylprop-1-enyl]benzaldehyde is sourced from PubChem (CID 18936578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).