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

C9H14N2O3 — CID 118400724

IUPAC(E)-N-methyl-4-(3-oxomorpholin-4-yl)but-2-enamide
SMILESCNC(=O)/C=C/CN1CCOCC1=O
InChIInChI=1S/C9H14N2O3/c1-10-8(12)3-2-4-11-5-6-14-7-9(11)13/h2-3H,4-7H2,1H3,(H,10,12)/b3-2+
InChIKeyNQVSVVPHTUHLCU-NSCUHMNNSA-N
MW198.22 g/mol
LogP-0.85
Rot. Bonds3

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

(E)-N-methyl-4-(3-oxomorpholin-4-yl)but-2-enamide (PubChem CID 118400724) has the molecular formula C9H14N2O3 and a molecular weight of 198.22 g/mol. Its IUPAC name is (E)-N-methyl-4-(3-oxomorpholin-4-yl)but-2-enamide.

Molecular Properties

Compound Name(E)-N-methyl-4-(3-oxomorpholin-4-yl)but-2-enamide
PubChem CID118400724
Molecular FormulaC9H14N2O3
Molecular Weight198.22 g/mol
Exact Mass198.10
IUPAC Name(E)-N-methyl-4-(3-oxomorpholin-4-yl)but-2-enamide
SMILESCNC(=O)/C=C/CN1CCOCC1=O
InChIInChI=1S/C9H14N2O3/c1-10-8(12)3-2-4-11-5-6-14-7-9(11)13/h2-3H,4-7H2,1H3,(H,10,12)/b3-2+
InChIKeyNQVSVVPHTUHLCU-NSCUHMNNSA-N
XLogP-0.85
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.22
LogP ≤ 5-0.85
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-methyl-4-(3-oxomorpholin-4-yl)but-2-enamide?
The IUPAC name of (E)-N-methyl-4-(3-oxomorpholin-4-yl)but-2-enamide (CID 118400724) is (E)-N-methyl-4-(3-oxomorpholin-4-yl)but-2-enamide.
What is the SMILES notation for (E)-N-methyl-4-(3-oxomorpholin-4-yl)but-2-enamide?
The canonical SMILES for (E)-N-methyl-4-(3-oxomorpholin-4-yl)but-2-enamide is CNC(=O)/C=C/CN1CCOCC1=O.
What is the InChIKey of (E)-N-methyl-4-(3-oxomorpholin-4-yl)but-2-enamide?
The InChIKey is NQVSVVPHTUHLCU-NSCUHMNNSA-N. The full InChI is InChI=1S/C9H14N2O3/c1-10-8(12)3-2-4-11-5-6-14-7-9(11)13/h2-3H,4-7H2,1H3,(H,10,12)/b3-2+.
What are the key properties of (E)-N-methyl-4-(3-oxomorpholin-4-yl)but-2-enamide?
(E)-N-methyl-4-(3-oxomorpholin-4-yl)but-2-enamide has a molecular weight of 198.22 g/mol, XLogP of -0.85, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-methyl-4-(3-oxomorpholin-4-yl)but-2-enamide is sourced from PubChem (CID 118400724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).