(E)-3-(methylamino)-1-morpholin-4-ylprop-2-en-1-one

C8H14N2O2 — CID 129407797

IUPAC(E)-3-(methylamino)-1-morpholin-4-ylprop-2-en-1-one
SMILESCN/C=C/C(=O)N1CCOCC1
InChIInChI=1S/C8H14N2O2/c1-9-3-2-8(11)10-4-6-12-7-5-10/h2-3,9H,4-7H2,1H3/b3-2+
InChIKeyHBYQJGXUWIXQCP-NSCUHMNNSA-N
MW170.21 g/mol
LogP-0.42
Rot. Bonds2

About (E)-3-(methylamino)-1-morpholin-4-ylprop-2-en-1-one

(E)-3-(methylamino)-1-morpholin-4-ylprop-2-en-1-one (PubChem CID 129407797) has the molecular formula C8H14N2O2 and a molecular weight of 170.21 g/mol. Its IUPAC name is (E)-3-(methylamino)-1-morpholin-4-ylprop-2-en-1-one.

Molecular Properties

Compound Name(E)-3-(methylamino)-1-morpholin-4-ylprop-2-en-1-one
PubChem CID129407797
Molecular FormulaC8H14N2O2
Molecular Weight170.21 g/mol
Exact Mass170.11
IUPAC Name(E)-3-(methylamino)-1-morpholin-4-ylprop-2-en-1-one
SMILESCN/C=C/C(=O)N1CCOCC1
InChIInChI=1S/C8H14N2O2/c1-9-3-2-8(11)10-4-6-12-7-5-10/h2-3,9H,4-7H2,1H3/b3-2+
InChIKeyHBYQJGXUWIXQCP-NSCUHMNNSA-N
XLogP-0.42
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 ≤ 5-0.42
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)-3-(methylamino)-1-morpholin-4-ylprop-2-en-1-one?
The IUPAC name of (E)-3-(methylamino)-1-morpholin-4-ylprop-2-en-1-one (CID 129407797) is (E)-3-(methylamino)-1-morpholin-4-ylprop-2-en-1-one.
What is the SMILES notation for (E)-3-(methylamino)-1-morpholin-4-ylprop-2-en-1-one?
The canonical SMILES for (E)-3-(methylamino)-1-morpholin-4-ylprop-2-en-1-one is CN/C=C/C(=O)N1CCOCC1.
What is the InChIKey of (E)-3-(methylamino)-1-morpholin-4-ylprop-2-en-1-one?
The InChIKey is HBYQJGXUWIXQCP-NSCUHMNNSA-N. The full InChI is InChI=1S/C8H14N2O2/c1-9-3-2-8(11)10-4-6-12-7-5-10/h2-3,9H,4-7H2,1H3/b3-2+.
What are the key properties of (E)-3-(methylamino)-1-morpholin-4-ylprop-2-en-1-one?
(E)-3-(methylamino)-1-morpholin-4-ylprop-2-en-1-one has a molecular weight of 170.21 g/mol, XLogP of -0.42, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(methylamino)-1-morpholin-4-ylprop-2-en-1-one is sourced from PubChem (CID 129407797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).