2-(2-morpholin-4-ylphenyl)penta-2,4-dienal

C15H17NO2 — CID 90811262

IUPAC2-(2-morpholin-4-ylphenyl)penta-2,4-dienal
SMILESC=CC=C(C=O)c1ccccc1N1CCOCC1
InChIInChI=1S/C15H17NO2/c1-2-5-13(12-17)14-6-3-4-7-15(14)16-8-10-18-11-9-16/h2-7,12H,1,8-11H2
InChIKeyFURRLLAJJBNDNJ-UHFFFAOYSA-N
MW243.31 g/mol
LogP2.29
Rot. Bonds4

About 2-(2-morpholin-4-ylphenyl)penta-2,4-dienal

2-(2-morpholin-4-ylphenyl)penta-2,4-dienal (PubChem CID 90811262) has the molecular formula C15H17NO2 and a molecular weight of 243.31 g/mol. Its IUPAC name is 2-(2-morpholin-4-ylphenyl)penta-2,4-dienal.

Molecular Properties

Compound Name2-(2-morpholin-4-ylphenyl)penta-2,4-dienal
PubChem CID90811262
Molecular FormulaC15H17NO2
Molecular Weight243.31 g/mol
Exact Mass243.13
IUPAC Name2-(2-morpholin-4-ylphenyl)penta-2,4-dienal
SMILESC=CC=C(C=O)c1ccccc1N1CCOCC1
InChIInChI=1S/C15H17NO2/c1-2-5-13(12-17)14-6-3-4-7-15(14)16-8-10-18-11-9-16/h2-7,12H,1,8-11H2
InChIKeyFURRLLAJJBNDNJ-UHFFFAOYSA-N
XLogP2.29
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(2-morpholin-4-ylphenyl)-2-oxoacetic acid
CID 117341791
2-morpholin-4-ylbenzohydrazide
CID 7148386
2-chloro-3-morpholin-4-ylbenzoic acid
CID 155573324
N-[2-(methylamino)propyl]-2-morpholin-4-ylbenzamide
CID 120827445
methylsulfanylmethyl 2-morpholin-4-ylbenzoate
CID 174939418
3-[(2-morpholin-4-ylbenzoyl)amino]propanoic acid
CID 119350882
N'-hydroxy-2-(1,4-oxazepan-4-yl)benzenecarboximidamide
CID 55154278
4-(2-methylsulfinylphenyl)morpholine
CID 173235421
N-[2-(methylamino)propyl]-2-morpholin-4-ylbenzamide;dihydrochloride
CID 120827444
(3R)-1-(2-morpholin-4-ylbenzoyl)pyrrolidine-3-carboxylic acid
CID 125148963
methyl 2-methoxy-3-morpholin-4-ylbenzoate
CID 162506076
2-(dimethylamino)-2-(methylamino)-1-(2-morpholin-4-ylphenyl)butan-1-one
CID 175147808

Frequently Asked Questions

What is the IUPAC name of 2-(2-morpholin-4-ylphenyl)penta-2,4-dienal?
The IUPAC name of 2-(2-morpholin-4-ylphenyl)penta-2,4-dienal (CID 90811262) is 2-(2-morpholin-4-ylphenyl)penta-2,4-dienal.
What is the SMILES notation for 2-(2-morpholin-4-ylphenyl)penta-2,4-dienal?
The canonical SMILES for 2-(2-morpholin-4-ylphenyl)penta-2,4-dienal is C=CC=C(C=O)c1ccccc1N1CCOCC1.
What is the InChIKey of 2-(2-morpholin-4-ylphenyl)penta-2,4-dienal?
The InChIKey is FURRLLAJJBNDNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO2/c1-2-5-13(12-17)14-6-3-4-7-15(14)16-8-10-18-11-9-16/h2-7,12H,1,8-11H2.
What are the key properties of 2-(2-morpholin-4-ylphenyl)penta-2,4-dienal?
2-(2-morpholin-4-ylphenyl)penta-2,4-dienal has a molecular weight of 243.31 g/mol, XLogP of 2.29, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-morpholin-4-ylphenyl)penta-2,4-dienal is sourced from PubChem (CID 90811262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).