(E)-4-(3-oxomorpholin-4-yl)-N-propan-2-ylbut-2-enamide

C11H18N2O3 — CID 129266169

IUPAC(E)-4-(3-oxomorpholin-4-yl)-N-propan-2-ylbut-2-enamide
SMILESCC(C)NC(=O)/C=C/CN1CCOCC1=O
InChIInChI=1S/C11H18N2O3/c1-9(2)12-10(14)4-3-5-13-6-7-16-8-11(13)15/h3-4,9H,5-8H2,1-2H3,(H,12,14)/b4-3+
InChIKeyWFMLORNPVLRBDW-ONEGZZNKSA-N
MW226.28 g/mol
LogP-0.07
Rot. Bonds4

About (E)-4-(3-oxomorpholin-4-yl)-N-propan-2-ylbut-2-enamide

(E)-4-(3-oxomorpholin-4-yl)-N-propan-2-ylbut-2-enamide (PubChem CID 129266169) has the molecular formula C11H18N2O3 and a molecular weight of 226.28 g/mol. Its IUPAC name is (E)-4-(3-oxomorpholin-4-yl)-N-propan-2-ylbut-2-enamide.

Molecular Properties

Compound Name(E)-4-(3-oxomorpholin-4-yl)-N-propan-2-ylbut-2-enamide
PubChem CID129266169
Molecular FormulaC11H18N2O3
Molecular Weight226.28 g/mol
Exact Mass226.13
IUPAC Name(E)-4-(3-oxomorpholin-4-yl)-N-propan-2-ylbut-2-enamide
SMILESCC(C)NC(=O)/C=C/CN1CCOCC1=O
InChIInChI=1S/C11H18N2O3/c1-9(2)12-10(14)4-3-5-13-6-7-16-8-11(13)15/h3-4,9H,5-8H2,1-2H3,(H,12,14)/b4-3+
InChIKeyWFMLORNPVLRBDW-ONEGZZNKSA-N
XLogP-0.07
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 5-0.07
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)-4-(3-oxomorpholin-4-yl)-N-propan-2-ylbut-2-enamide?
The IUPAC name of (E)-4-(3-oxomorpholin-4-yl)-N-propan-2-ylbut-2-enamide (CID 129266169) is (E)-4-(3-oxomorpholin-4-yl)-N-propan-2-ylbut-2-enamide.
What is the SMILES notation for (E)-4-(3-oxomorpholin-4-yl)-N-propan-2-ylbut-2-enamide?
The canonical SMILES for (E)-4-(3-oxomorpholin-4-yl)-N-propan-2-ylbut-2-enamide is CC(C)NC(=O)/C=C/CN1CCOCC1=O.
What is the InChIKey of (E)-4-(3-oxomorpholin-4-yl)-N-propan-2-ylbut-2-enamide?
The InChIKey is WFMLORNPVLRBDW-ONEGZZNKSA-N. The full InChI is InChI=1S/C11H18N2O3/c1-9(2)12-10(14)4-3-5-13-6-7-16-8-11(13)15/h3-4,9H,5-8H2,1-2H3,(H,12,14)/b4-3+.
What are the key properties of (E)-4-(3-oxomorpholin-4-yl)-N-propan-2-ylbut-2-enamide?
(E)-4-(3-oxomorpholin-4-yl)-N-propan-2-ylbut-2-enamide has a molecular weight of 226.28 g/mol, XLogP of -0.07, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-(3-oxomorpholin-4-yl)-N-propan-2-ylbut-2-enamide is sourced from PubChem (CID 129266169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).