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

C8H14N2O2 — CID 78907909

IUPAC(E)-N-morpholin-4-ylbut-2-enamide
SMILESC/C=C/C(=O)NN1CCOCC1
InChIInChI=1S/C8H14N2O2/c1-2-3-8(11)9-10-4-6-12-7-5-10/h2-3H,4-7H2,1H3,(H,9,11)/b3-2+
InChIKeyHYKFBIVZSQNRAQ-NSCUHMNNSA-N
MW170.21 g/mol
LogP-0.07
Rot. Bonds2

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

(E)-N-morpholin-4-ylbut-2-enamide (PubChem CID 78907909) has the molecular formula C8H14N2O2 and a molecular weight of 170.21 g/mol. Its IUPAC name is (E)-N-morpholin-4-ylbut-2-enamide.

Molecular Properties

Compound Name(E)-N-morpholin-4-ylbut-2-enamide
PubChem CID78907909
Molecular FormulaC8H14N2O2
Molecular Weight170.21 g/mol
Exact Mass170.11
IUPAC Name(E)-N-morpholin-4-ylbut-2-enamide
SMILESC/C=C/C(=O)NN1CCOCC1
InChIInChI=1S/C8H14N2O2/c1-2-3-8(11)9-10-4-6-12-7-5-10/h2-3H,4-7H2,1H3,(H,9,11)/b3-2+
InChIKeyHYKFBIVZSQNRAQ-NSCUHMNNSA-N
XLogP-0.07
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.21
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)-N-morpholin-4-ylbut-2-enamide?
The IUPAC name of (E)-N-morpholin-4-ylbut-2-enamide (CID 78907909) is (E)-N-morpholin-4-ylbut-2-enamide.
What is the SMILES notation for (E)-N-morpholin-4-ylbut-2-enamide?
The canonical SMILES for (E)-N-morpholin-4-ylbut-2-enamide is C/C=C/C(=O)NN1CCOCC1.
What is the InChIKey of (E)-N-morpholin-4-ylbut-2-enamide?
The InChIKey is HYKFBIVZSQNRAQ-NSCUHMNNSA-N. The full InChI is InChI=1S/C8H14N2O2/c1-2-3-8(11)9-10-4-6-12-7-5-10/h2-3H,4-7H2,1H3,(H,9,11)/b3-2+.
What are the key properties of (E)-N-morpholin-4-ylbut-2-enamide?
(E)-N-morpholin-4-ylbut-2-enamide has a molecular weight of 170.21 g/mol, XLogP of -0.07, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-morpholin-4-ylbut-2-enamide is sourced from PubChem (CID 78907909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).