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

C20H19NO3 — CID 6079708

IUPAC4-[(E)-3-(4-morpholin-4-ylphenyl)-3-oxoprop-1-enyl]benzaldehyde
SMILESO=Cc1ccc(/C=C/C(=O)c2ccc(N3CCOCC3)cc2)cc1
InChIInChI=1S/C20H19NO3/c22-15-17-3-1-16(2-4-17)5-10-20(23)18-6-8-19(9-7-18)21-11-13-24-14-12-21/h1-10,15H,11-14H2/b10-5+
InChIKeyCZLGYLVZRWLXTN-BJMVGYQFSA-N
MW321.38 g/mol
LogP3.23
Rot. Bonds5

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

4-[(E)-3-(4-morpholin-4-ylphenyl)-3-oxoprop-1-enyl]benzaldehyde (PubChem CID 6079708) has the molecular formula C20H19NO3 and a molecular weight of 321.38 g/mol. Its IUPAC name is 4-[(E)-3-(4-morpholin-4-ylphenyl)-3-oxoprop-1-enyl]benzaldehyde.

Molecular Properties

Compound Name4-[(E)-3-(4-morpholin-4-ylphenyl)-3-oxoprop-1-enyl]benzaldehyde
PubChem CID6079708
Molecular FormulaC20H19NO3
Molecular Weight321.38 g/mol
Exact Mass321.14
IUPAC Name4-[(E)-3-(4-morpholin-4-ylphenyl)-3-oxoprop-1-enyl]benzaldehyde
SMILESO=Cc1ccc(/C=C/C(=O)c2ccc(N3CCOCC3)cc2)cc1
InChIInChI=1S/C20H19NO3/c22-15-17-3-1-16(2-4-17)5-10-20(23)18-6-8-19(9-7-18)21-11-13-24-14-12-21/h1-10,15H,11-14H2/b10-5+
InChIKeyCZLGYLVZRWLXTN-BJMVGYQFSA-N
XLogP3.23
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(4-morpholin-4-ylphenyl)-3-[4-[3-(4-morpholin-4-ylphenyl)-3-oxoprop-1-enyl]phenyl]prop-2-en-1-one
CID 171481806
(E)-1-(4-bromophenyl)-3-(4-morpholin-4-ylphenyl)prop-2-en-1-one
CID 8685378
1-(4-morpholin-4-ylphenyl)-3-(4-nitrophenyl)prop-2-en-1-one
CID 4559641
1,5-bis(4-morpholin-4-ylphenyl)penta-1,4-dien-3-one
CID 57031748
(E)-1-(6-methoxynaphthalen-2-yl)-3-(4-morpholin-4-ylphenyl)prop-2-en-1-one
CID 7947303
(2Z,4E)-5-(4-methoxyphenyl)-1-(4-morpholin-4-ylphenyl)penta-2,4-dien-1-one
CID 155927198
(E)-3-(1-methylpyrazol-3-yl)-1-(4-morpholin-4-ylphenyl)prop-2-en-1-one
CID 19541554
(E)-1-(4-morpholin-4-ylphenyl)-3-[3-(trifluoromethyl)phenyl]prop-2-en-1-one
CID 6310320
methyl 4-[[4-[3-(4-morpholin-4-ylphenyl)-3-oxoprop-1-enyl]phenoxy]methyl]benzoate
CID 3978163
4-[4-[2-(4-morpholin-4-ylphenyl)ethenyl]phenyl]morpholine
CID 141350180
methyl (E)-3-(4-morpholin-4-ylphenyl)prop-2-enoate
CID 91689830
(E)-N-hydroxy-3-[6-[(E)-3-(4-morpholin-4-ylphenyl)-3-oxoprop-1-enyl]-2-pyridinyl]prop-2-enamide
CID 25206197

Frequently Asked Questions

What is the IUPAC name of 4-[(E)-3-(4-morpholin-4-ylphenyl)-3-oxoprop-1-enyl]benzaldehyde?
The IUPAC name of 4-[(E)-3-(4-morpholin-4-ylphenyl)-3-oxoprop-1-enyl]benzaldehyde (CID 6079708) is 4-[(E)-3-(4-morpholin-4-ylphenyl)-3-oxoprop-1-enyl]benzaldehyde.
What is the SMILES notation for 4-[(E)-3-(4-morpholin-4-ylphenyl)-3-oxoprop-1-enyl]benzaldehyde?
The canonical SMILES for 4-[(E)-3-(4-morpholin-4-ylphenyl)-3-oxoprop-1-enyl]benzaldehyde is O=Cc1ccc(/C=C/C(=O)c2ccc(N3CCOCC3)cc2)cc1.
What is the InChIKey of 4-[(E)-3-(4-morpholin-4-ylphenyl)-3-oxoprop-1-enyl]benzaldehyde?
The InChIKey is CZLGYLVZRWLXTN-BJMVGYQFSA-N. The full InChI is InChI=1S/C20H19NO3/c22-15-17-3-1-16(2-4-17)5-10-20(23)18-6-8-19(9-7-18)21-11-13-24-14-12-21/h1-10,15H,11-14H2/b10-5+.
What are the key properties of 4-[(E)-3-(4-morpholin-4-ylphenyl)-3-oxoprop-1-enyl]benzaldehyde?
4-[(E)-3-(4-morpholin-4-ylphenyl)-3-oxoprop-1-enyl]benzaldehyde has a molecular weight of 321.38 g/mol, XLogP of 3.23, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-3-(4-morpholin-4-ylphenyl)-3-oxoprop-1-enyl]benzaldehyde is sourced from PubChem (CID 6079708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).