but-2-enedioic acid;1-morpholin-4-ylprop-2-en-1-one

C11H15NO6 — CID 158662750

IUPACbut-2-enedioic acid;1-morpholin-4-ylprop-2-en-1-one
SMILESC=CC(=O)N1CCOCC1.O=C(O)C=CC(=O)O
InChIInChI=1S/C7H11NO2.C4H4O4/c1-2-7(9)8-3-5-10-6-4-8;5-3(6)1-2-4(7)8/h2H,1,3-6H2;1-2H,(H,5,6)(H,7,8)
InChIKeyICYQCZLLJIGVRN-UHFFFAOYSA-N
MW257.24 g/mol
LogP-0.26
Rot. Bonds3

About but-2-enedioic acid;1-morpholin-4-ylprop-2-en-1-one

but-2-enedioic acid;1-morpholin-4-ylprop-2-en-1-one (PubChem CID 158662750) has the molecular formula C11H15NO6 and a molecular weight of 257.24 g/mol. Its IUPAC name is but-2-enedioic acid;1-morpholin-4-ylprop-2-en-1-one.

Molecular Properties

Compound Namebut-2-enedioic acid;1-morpholin-4-ylprop-2-en-1-one
PubChem CID158662750
Molecular FormulaC11H15NO6
Molecular Weight257.24 g/mol
Exact Mass257.09
IUPAC Namebut-2-enedioic acid;1-morpholin-4-ylprop-2-en-1-one
SMILESC=CC(=O)N1CCOCC1.O=C(O)C=CC(=O)O
InChIInChI=1S/C7H11NO2.C4H4O4/c1-2-7(9)8-3-5-10-6-4-8;5-3(6)1-2-4(7)8/h2H,1,3-6H2;1-2H,(H,5,6)(H,7,8)
InChIKeyICYQCZLLJIGVRN-UHFFFAOYSA-N
XLogP-0.26
TPSA104.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.24
LogP ≤ 5-0.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(E)-1,4-dimorpholin-4-ylbut-2-ene-1,4-dione
CID 728972
N-ethenyl-N-methylacetamide;1-morpholin-4-ylprop-2-en-1-one
CID 141284546
(E)-2-ethenyl-1-morpholin-4-ylbut-2-en-1-one
CID 10797480
1-[(3S,4S)-3-methyl-4-(morpholine-4-carbonyl)pyrrolidin-1-yl]prop-2-en-1-one
CID 126827528
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CID 25230596
ethane;(E)-1-morpholin-4-ylbut-2-en-1-one
CID 143019024
4-(2-morpholin-4-yl-2-oxoethoxy)-4-oxobut-2-enoic acid
CID 67281689
(E)-1-morpholin-4-ylhex-2-en-1-one
CID 135042779
(E)-3-(methylamino)-1-morpholin-4-ylprop-2-en-1-one
CID 129407797
N-(3-morpholin-4-yl-3-oxoprop-1-enyl)but-3-enamide
CID 139945979
N-(hydroxymethyl)prop-2-enamide;2-methylprop-2-enamide;1-morpholin-4-ylprop-2-en-1-one;prop-2-enamide
CID 174819679
(E)-4-amino-1-morpholin-4-ylbut-2-en-1-one;hydrochloride
CID 134163237

Frequently Asked Questions

What is the IUPAC name of but-2-enedioic acid;1-morpholin-4-ylprop-2-en-1-one?
The IUPAC name of but-2-enedioic acid;1-morpholin-4-ylprop-2-en-1-one (CID 158662750) is but-2-enedioic acid;1-morpholin-4-ylprop-2-en-1-one.
What is the SMILES notation for but-2-enedioic acid;1-morpholin-4-ylprop-2-en-1-one?
The canonical SMILES for but-2-enedioic acid;1-morpholin-4-ylprop-2-en-1-one is C=CC(=O)N1CCOCC1.O=C(O)C=CC(=O)O.
What is the InChIKey of but-2-enedioic acid;1-morpholin-4-ylprop-2-en-1-one?
The InChIKey is ICYQCZLLJIGVRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO2.C4H4O4/c1-2-7(9)8-3-5-10-6-4-8;5-3(6)1-2-4(7)8/h2H,1,3-6H2;1-2H,(H,5,6)(H,7,8).
What are the key properties of but-2-enedioic acid;1-morpholin-4-ylprop-2-en-1-one?
but-2-enedioic acid;1-morpholin-4-ylprop-2-en-1-one has a molecular weight of 257.24 g/mol, XLogP of -0.26, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for but-2-enedioic acid;1-morpholin-4-ylprop-2-en-1-one is sourced from PubChem (CID 158662750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).