(E)-4-morpholin-4-yl-N-propan-2-ylbut-2-enamide

C11H20N2O2 — CID 118034453

IUPAC(E)-4-morpholin-4-yl-N-propan-2-ylbut-2-enamide
SMILESCC(C)NC(=O)/C=C/CN1CCOCC1
InChIInChI=1S/C11H20N2O2/c1-10(2)12-11(14)4-3-5-13-6-8-15-9-7-13/h3-4,10H,5-9H2,1-2H3,(H,12,14)/b4-3+
InChIKeyJHFFSISOBHISTH-ONEGZZNKSA-N
MW212.29 g/mol
LogP0.40
Rot. Bonds4

About (E)-4-morpholin-4-yl-N-propan-2-ylbut-2-enamide

(E)-4-morpholin-4-yl-N-propan-2-ylbut-2-enamide (PubChem CID 118034453) has the molecular formula C11H20N2O2 and a molecular weight of 212.29 g/mol. Its IUPAC name is (E)-4-morpholin-4-yl-N-propan-2-ylbut-2-enamide.

Molecular Properties

Compound Name(E)-4-morpholin-4-yl-N-propan-2-ylbut-2-enamide
PubChem CID118034453
Molecular FormulaC11H20N2O2
Molecular Weight212.29 g/mol
Exact Mass212.15
IUPAC Name(E)-4-morpholin-4-yl-N-propan-2-ylbut-2-enamide
SMILESCC(C)NC(=O)/C=C/CN1CCOCC1
InChIInChI=1S/C11H20N2O2/c1-10(2)12-11(14)4-3-5-13-6-8-15-9-7-13/h3-4,10H,5-9H2,1-2H3,(H,12,14)/b4-3+
InChIKeyJHFFSISOBHISTH-ONEGZZNKSA-N
XLogP0.40
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 50.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(E)-N-methyl-4-morpholin-4-ylbut-2-enamide
CID 89242760
(E)-4-(Dimethylamino)-N-(3,3,3-trifluoro-2-morpholin-4-ylpropyl)but-2-enamide
CID 146097717
2-Propenamide, N-[2-(4-morpholinyl)ethyl]-
CID 10241489
N-(3-Morpholinopropyl)acrylamide
CID 11735756
(E)-4-morpholin-4-ylbut-2-enamide
CID 17897632
N-[1-(3,5-dimethylmorpholin-4-yl)ethyl]prop-2-enamide
CID 19872356
N-[2-[2-(dimethylamino)ethoxy]ethyl]prop-2-enamide
CID 20310793
4-Morpholin-4-ylbut-2-enamide
CID 53733694
N-(2-morpholin-4-ylpropyl)prop-2-enamide
CID 53787036
N'-(3-morpholin-4-ylpropyl)but-2-enediamide
CID 53959577
N-(2-morpholin-4-ylpentyl)prop-2-enamide
CID 54237816
N-(3-morpholin-4-ylbutyl)prop-2-enamide
CID 54301471

Frequently Asked Questions

What is the IUPAC name of (E)-4-morpholin-4-yl-N-propan-2-ylbut-2-enamide?
The IUPAC name of (E)-4-morpholin-4-yl-N-propan-2-ylbut-2-enamide (CID 118034453) is (E)-4-morpholin-4-yl-N-propan-2-ylbut-2-enamide.
What is the SMILES notation for (E)-4-morpholin-4-yl-N-propan-2-ylbut-2-enamide?
The canonical SMILES for (E)-4-morpholin-4-yl-N-propan-2-ylbut-2-enamide is CC(C)NC(=O)/C=C/CN1CCOCC1.
What is the InChIKey of (E)-4-morpholin-4-yl-N-propan-2-ylbut-2-enamide?
The InChIKey is JHFFSISOBHISTH-ONEGZZNKSA-N. The full InChI is InChI=1S/C11H20N2O2/c1-10(2)12-11(14)4-3-5-13-6-8-15-9-7-13/h3-4,10H,5-9H2,1-2H3,(H,12,14)/b4-3+.
What are the key properties of (E)-4-morpholin-4-yl-N-propan-2-ylbut-2-enamide?
(E)-4-morpholin-4-yl-N-propan-2-ylbut-2-enamide has a molecular weight of 212.29 g/mol, XLogP of 0.40, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-morpholin-4-yl-N-propan-2-ylbut-2-enamide is sourced from PubChem (CID 118034453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).