2-morpholin-4-ium-4-ylethyl-[1-[(5R)-2,4,6-trioxo-1-prop-2-enyl-1,3-diazinan-5-yl]ethenyl]azanium

C15H24N4O4+2 — CID 6995892

IUPAC2-morpholin-4-ium-4-ylethyl-[1-[(5R)-2,4,6-trioxo-1-prop-2-enyl-1,3-diazinan-5-yl]ethenyl]azanium
SMILESC=CCN1C(=O)NC(=O)[C@@H](C(=C)[NH2+]CC[NH+]2CCOCC2)C1=O
InChIInChI=1S/C15H22N4O4/c1-3-5-19-14(21)12(13(20)17-15(19)22)11(2)16-4-6-18-7-9-23-10-8-18/h3,12,16H,1-2,4-10H2,(H,17,20,22)/p+2/t12-/m1/s1
InChIKeyWMJZMPROFMWUFY-GFCCVEGCSA-P
MW324.38 g/mol
LogP-3.14
Rot. Bonds7

About 2-morpholin-4-ium-4-ylethyl-[1-[(5R)-2,4,6-trioxo-1-prop-2-enyl-1,3-diazinan-5-yl]ethenyl]azanium

2-morpholin-4-ium-4-ylethyl-[1-[(5R)-2,4,6-trioxo-1-prop-2-enyl-1,3-diazinan-5-yl]ethenyl]azanium (PubChem CID 6995892) has the molecular formula C15H24N4O4+2 and a molecular weight of 324.38 g/mol. Its IUPAC name is 2-morpholin-4-ium-4-ylethyl-[1-[(5R)-2,4,6-trioxo-1-prop-2-enyl-1,3-diazinan-5-yl]ethenyl]azanium.

Molecular Properties

Compound Name2-morpholin-4-ium-4-ylethyl-[1-[(5R)-2,4,6-trioxo-1-prop-2-enyl-1,3-diazinan-5-yl]ethenyl]azanium
PubChem CID6995892
Molecular FormulaC15H24N4O4+2
Molecular Weight324.38 g/mol
Exact Mass324.18
IUPAC Name2-morpholin-4-ium-4-ylethyl-[1-[(5R)-2,4,6-trioxo-1-prop-2-enyl-1,3-diazinan-5-yl]ethenyl]azanium
SMILESC=CCN1C(=O)NC(=O)[C@@H](C(=C)[NH2+]CC[NH+]2CCOCC2)C1=O
InChIInChI=1S/C15H22N4O4/c1-3-5-19-14(21)12(13(20)17-15(19)22)11(2)16-4-6-18-7-9-23-10-8-18/h3,12,16H,1-2,4-10H2,(H,17,20,22)/p+2/t12-/m1/s1
InChIKeyWMJZMPROFMWUFY-GFCCVEGCSA-P
XLogP-3.14
TPSA96.76 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 5-3.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

5-[C-ethyl-N-[[(2R)-oxolan-2-yl]methyl]carbonimidoyl]-1-prop-2-enyl-1,3-diazinane-2,4,6-trione
CID 7509797
5-methyl-1-prop-2-enyl-1,3-diazinane-2,4,6-trione
CID 67961738
(5R)-1-butyl-5-[C-ethyl-N-(3-morpholin-4-ium-4-ylpropyl)carbonimidoyl]-1,3-diazinane-2,4,6-trione
CID 7474488
5-amino-1-prop-2-enyl-1,3-diazinane-2,4,6-trione
CID 170447672
1-benzyl-5-[C-methyl-N-(3-morpholin-4-ium-4-ylpropyl)carbonimidoyl]-1,3-diazinane-2,4,6-trione
CID 7474555
(5R)-1-butyl-5-(2-morpholin-4-ium-4-ylethyliminomethyl)-1,3-diazinane-2,4,6-trione
CID 7367744
5-[C-methyl-N-(2-morpholin-4-ium-4-ylethyl)carbonimidoyl]-1,3-diazinane-2,4,6-trione
CID 7461887
N-[2-[1-[(5R)-2,4,6-trioxo-1-prop-2-enyl-1,3-diazinan-5-yl]ethenylamino]phenyl]propanamide
CID 2033763
4'-[hydroxy(phenyl)methylidene]-1'-(3-morpholin-4-ium-4-ylpropyl)-1-prop-2-enylspiro[indole-3,5'-pyrrolidine]-2,2',3'-trione
CID 4301789
(5S)-5-[(4-methoxyphenyl)methyl]-1-prop-2-enyl-1,3-diazinane-2,4,6-trione
CID 7272193
(4S)-4-(2-fluorophenyl)-6-(2-morpholin-4-ium-4-ylethyl)-1-prop-2-enyl-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidine-2,5-dione
CID 7202306
5-[C-methyl-N-(3-morpholin-4-ium-4-ylpropyl)carbonimidoyl]-2,6-dioxo-3-prop-2-enylpyrimidin-4-olate
CID 4918838

Frequently Asked Questions

What is the IUPAC name of 2-morpholin-4-ium-4-ylethyl-[1-[(5R)-2,4,6-trioxo-1-prop-2-enyl-1,3-diazinan-5-yl]ethenyl]azanium?
The IUPAC name of 2-morpholin-4-ium-4-ylethyl-[1-[(5R)-2,4,6-trioxo-1-prop-2-enyl-1,3-diazinan-5-yl]ethenyl]azanium (CID 6995892) is 2-morpholin-4-ium-4-ylethyl-[1-[(5R)-2,4,6-trioxo-1-prop-2-enyl-1,3-diazinan-5-yl]ethenyl]azanium.
What is the SMILES notation for 2-morpholin-4-ium-4-ylethyl-[1-[(5R)-2,4,6-trioxo-1-prop-2-enyl-1,3-diazinan-5-yl]ethenyl]azanium?
The canonical SMILES for 2-morpholin-4-ium-4-ylethyl-[1-[(5R)-2,4,6-trioxo-1-prop-2-enyl-1,3-diazinan-5-yl]ethenyl]azanium is C=CCN1C(=O)NC(=O)[C@@H](C(=C)[NH2+]CC[NH+]2CCOCC2)C1=O.
What is the InChIKey of 2-morpholin-4-ium-4-ylethyl-[1-[(5R)-2,4,6-trioxo-1-prop-2-enyl-1,3-diazinan-5-yl]ethenyl]azanium?
The InChIKey is WMJZMPROFMWUFY-GFCCVEGCSA-P. The full InChI is InChI=1S/C15H22N4O4/c1-3-5-19-14(21)12(13(20)17-15(19)22)11(2)16-4-6-18-7-9-23-10-8-18/h3,12,16H,1-2,4-10H2,(H,17,20,22)/p+2/t12-/m1/s1.
What are the key properties of 2-morpholin-4-ium-4-ylethyl-[1-[(5R)-2,4,6-trioxo-1-prop-2-enyl-1,3-diazinan-5-yl]ethenyl]azanium?
2-morpholin-4-ium-4-ylethyl-[1-[(5R)-2,4,6-trioxo-1-prop-2-enyl-1,3-diazinan-5-yl]ethenyl]azanium has a molecular weight of 324.38 g/mol, XLogP of -3.14, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-morpholin-4-ium-4-ylethyl-[1-[(5R)-2,4,6-trioxo-1-prop-2-enyl-1,3-diazinan-5-yl]ethenyl]azanium is sourced from PubChem (CID 6995892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).