N-(3-morpholin-4-yl-3-oxoprop-1-enyl)but-3-enamide

C11H16N2O3 — CID 139945979

IUPACN-(3-morpholin-4-yl-3-oxoprop-1-enyl)but-3-enamide
SMILESC=CCC(=O)NC=CC(=O)N1CCOCC1
InChIInChI=1S/C11H16N2O3/c1-2-3-10(14)12-5-4-11(15)13-6-8-16-9-7-13/h2,4-5H,1,3,6-9H2,(H,12,14)
InChIKeyKMYAIKAAXSIOPA-UHFFFAOYSA-N
MW224.26 g/mol
LogP0.05
Rot. Bonds4

About N-(3-morpholin-4-yl-3-oxoprop-1-enyl)but-3-enamide

N-(3-morpholin-4-yl-3-oxoprop-1-enyl)but-3-enamide (PubChem CID 139945979) has the molecular formula C11H16N2O3 and a molecular weight of 224.26 g/mol. Its IUPAC name is N-(3-morpholin-4-yl-3-oxoprop-1-enyl)but-3-enamide.

Molecular Properties

Compound NameN-(3-morpholin-4-yl-3-oxoprop-1-enyl)but-3-enamide
PubChem CID139945979
Molecular FormulaC11H16N2O3
Molecular Weight224.26 g/mol
Exact Mass224.12
IUPAC NameN-(3-morpholin-4-yl-3-oxoprop-1-enyl)but-3-enamide
SMILESC=CCC(=O)NC=CC(=O)N1CCOCC1
InChIInChI=1S/C11H16N2O3/c1-2-3-10(14)12-5-4-11(15)13-6-8-16-9-7-13/h2,4-5H,1,3,6-9H2,(H,12,14)
InChIKeyKMYAIKAAXSIOPA-UHFFFAOYSA-N
XLogP0.05
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 50.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'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
(E)-3-(methylamino)-1-morpholin-4-ylprop-2-en-1-one
CID 129407797
but-2-enedioic acid;1-morpholin-4-ylprop-2-en-1-one
CID 158662750
ethane;(E)-1-morpholin-4-ylbut-2-en-1-one
CID 143019024
(E)-4-amino-1-morpholin-4-ylbut-2-en-1-one;hydrochloride
CID 134163237
(E)-1-morpholin-4-ylhex-2-en-1-one
CID 135042779
N-(oxan-4-yl)but-3-enamide
CID 134356735
1-morpholin-4-yl-3-(prop-2-enylamino)propan-1-one
CID 109011993
2-[morpholine-4-carbonyl(prop-2-enyl)amino]acetic acid
CID 79262594
methyl morpholine-4-carboxylate
CID 12575354
(E)-N-(3-acetamidocyclobutyl)-4-morpholin-4-yl-4-oxobut-2-enamide
CID 171527718
1-[(E)-3-morpholin-4-yl-3-oxoprop-1-enyl]pyridin-2-one
CID 71732149

Frequently Asked Questions

What is the IUPAC name of N-(3-morpholin-4-yl-3-oxoprop-1-enyl)but-3-enamide?
The IUPAC name of N-(3-morpholin-4-yl-3-oxoprop-1-enyl)but-3-enamide (CID 139945979) is N-(3-morpholin-4-yl-3-oxoprop-1-enyl)but-3-enamide.
What is the SMILES notation for N-(3-morpholin-4-yl-3-oxoprop-1-enyl)but-3-enamide?
The canonical SMILES for N-(3-morpholin-4-yl-3-oxoprop-1-enyl)but-3-enamide is C=CCC(=O)NC=CC(=O)N1CCOCC1.
What is the InChIKey of N-(3-morpholin-4-yl-3-oxoprop-1-enyl)but-3-enamide?
The InChIKey is KMYAIKAAXSIOPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O3/c1-2-3-10(14)12-5-4-11(15)13-6-8-16-9-7-13/h2,4-5H,1,3,6-9H2,(H,12,14).
What are the key properties of N-(3-morpholin-4-yl-3-oxoprop-1-enyl)but-3-enamide?
N-(3-morpholin-4-yl-3-oxoprop-1-enyl)but-3-enamide has a molecular weight of 224.26 g/mol, XLogP of 0.05, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-morpholin-4-yl-3-oxoprop-1-enyl)but-3-enamide is sourced from PubChem (CID 139945979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).