(E)-N-ethyl-4-(3-oxomorpholin-4-yl)but-2-enamide

C10H16N2O3 — CID 129299266

IUPAC(E)-N-ethyl-4-(3-oxomorpholin-4-yl)but-2-enamide
SMILESCCNC(=O)/C=C/CN1CCOCC1=O
InChIInChI=1S/C10H16N2O3/c1-2-11-9(13)4-3-5-12-6-7-15-8-10(12)14/h3-4H,2,5-8H2,1H3,(H,11,13)/b4-3+
InChIKeyJMDWLGGEVGCHQE-ONEGZZNKSA-N
MW212.25 g/mol
LogP-0.46
Rot. Bonds4

About (E)-N-ethyl-4-(3-oxomorpholin-4-yl)but-2-enamide

(E)-N-ethyl-4-(3-oxomorpholin-4-yl)but-2-enamide (PubChem CID 129299266) has the molecular formula C10H16N2O3 and a molecular weight of 212.25 g/mol. Its IUPAC name is (E)-N-ethyl-4-(3-oxomorpholin-4-yl)but-2-enamide.

Molecular Properties

Compound Name(E)-N-ethyl-4-(3-oxomorpholin-4-yl)but-2-enamide
PubChem CID129299266
Molecular FormulaC10H16N2O3
Molecular Weight212.25 g/mol
Exact Mass212.12
IUPAC Name(E)-N-ethyl-4-(3-oxomorpholin-4-yl)but-2-enamide
SMILESCCNC(=O)/C=C/CN1CCOCC1=O
InChIInChI=1S/C10H16N2O3/c1-2-11-9(13)4-3-5-12-6-7-15-8-10(12)14/h3-4H,2,5-8H2,1H3,(H,11,13)/b4-3+
InChIKeyJMDWLGGEVGCHQE-ONEGZZNKSA-N
XLogP-0.46
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.25
LogP ≤ 5-0.46
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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Frequently Asked Questions

What is the IUPAC name of (E)-N-ethyl-4-(3-oxomorpholin-4-yl)but-2-enamide?
The IUPAC name of (E)-N-ethyl-4-(3-oxomorpholin-4-yl)but-2-enamide (CID 129299266) is (E)-N-ethyl-4-(3-oxomorpholin-4-yl)but-2-enamide.
What is the SMILES notation for (E)-N-ethyl-4-(3-oxomorpholin-4-yl)but-2-enamide?
The canonical SMILES for (E)-N-ethyl-4-(3-oxomorpholin-4-yl)but-2-enamide is CCNC(=O)/C=C/CN1CCOCC1=O.
What is the InChIKey of (E)-N-ethyl-4-(3-oxomorpholin-4-yl)but-2-enamide?
The InChIKey is JMDWLGGEVGCHQE-ONEGZZNKSA-N. The full InChI is InChI=1S/C10H16N2O3/c1-2-11-9(13)4-3-5-12-6-7-15-8-10(12)14/h3-4H,2,5-8H2,1H3,(H,11,13)/b4-3+.
What are the key properties of (E)-N-ethyl-4-(3-oxomorpholin-4-yl)but-2-enamide?
(E)-N-ethyl-4-(3-oxomorpholin-4-yl)but-2-enamide has a molecular weight of 212.25 g/mol, XLogP of -0.46, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-ethyl-4-(3-oxomorpholin-4-yl)but-2-enamide is sourced from PubChem (CID 129299266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).