2-amino-1-morpholin-4-ylbut-3-en-1-one

C8H14N2O2 — CID 123424920

IUPAC2-amino-1-morpholin-4-ylbut-3-en-1-one
SMILESC=CC(N)C(=O)N1CCOCC1
InChIInChI=1S/C8H14N2O2/c1-2-7(9)8(11)10-3-5-12-6-4-10/h2,7H,1,3-6,9H2
InChIKeyPUOQOCHBOBVQKD-UHFFFAOYSA-N
MW170.21 g/mol
LogP-0.64
Rot. Bonds2

About 2-amino-1-morpholin-4-ylbut-3-en-1-one

2-amino-1-morpholin-4-ylbut-3-en-1-one (PubChem CID 123424920) has the molecular formula C8H14N2O2 and a molecular weight of 170.21 g/mol. Its IUPAC name is 2-amino-1-morpholin-4-ylbut-3-en-1-one.

Molecular Properties

Compound Name2-amino-1-morpholin-4-ylbut-3-en-1-one
PubChem CID123424920
Molecular FormulaC8H14N2O2
Molecular Weight170.21 g/mol
Exact Mass170.11
IUPAC Name2-amino-1-morpholin-4-ylbut-3-en-1-one
SMILESC=CC(N)C(=O)N1CCOCC1
InChIInChI=1S/C8H14N2O2/c1-2-7(9)8(11)10-3-5-12-6-4-10/h2,7H,1,3-6,9H2
InChIKeyPUOQOCHBOBVQKD-UHFFFAOYSA-N
XLogP-0.64
TPSA55.56 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 ≤ 5-0.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-amino-1-morpholin-4-ylbut-3-en-1-one?
The IUPAC name of 2-amino-1-morpholin-4-ylbut-3-en-1-one (CID 123424920) is 2-amino-1-morpholin-4-ylbut-3-en-1-one.
What is the SMILES notation for 2-amino-1-morpholin-4-ylbut-3-en-1-one?
The canonical SMILES for 2-amino-1-morpholin-4-ylbut-3-en-1-one is C=CC(N)C(=O)N1CCOCC1.
What is the InChIKey of 2-amino-1-morpholin-4-ylbut-3-en-1-one?
The InChIKey is PUOQOCHBOBVQKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O2/c1-2-7(9)8(11)10-3-5-12-6-4-10/h2,7H,1,3-6,9H2.
What are the key properties of 2-amino-1-morpholin-4-ylbut-3-en-1-one?
2-amino-1-morpholin-4-ylbut-3-en-1-one has a molecular weight of 170.21 g/mol, XLogP of -0.64, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-morpholin-4-ylbut-3-en-1-one is sourced from PubChem (CID 123424920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).