(E)-4-amino-1-morpholin-4-ylbut-2-en-1-one;hydrochloride

C8H15ClN2O2 — CID 134163237

IUPAC(E)-4-amino-1-morpholin-4-ylbut-2-en-1-one;hydrochloride
SMILESCl.NC/C=C/C(=O)N1CCOCC1
InChIInChI=1S/C8H14N2O2.ClH/c9-3-1-2-8(11)10-4-6-12-7-5-10;/h1-2H,3-7,9H2;1H/b2-1+;
InChIKeyZBWNRJPVIVAYGP-TYYBGVCCSA-N
MW206.67 g/mol
LogP-0.22
Rot. Bonds2

About (E)-4-amino-1-morpholin-4-ylbut-2-en-1-one;hydrochloride

(E)-4-amino-1-morpholin-4-ylbut-2-en-1-one;hydrochloride (PubChem CID 134163237) has the molecular formula C8H15ClN2O2 and a molecular weight of 206.67 g/mol. Its IUPAC name is (E)-4-amino-1-morpholin-4-ylbut-2-en-1-one;hydrochloride.

Molecular Properties

Compound Name(E)-4-amino-1-morpholin-4-ylbut-2-en-1-one;hydrochloride
PubChem CID134163237
Molecular FormulaC8H15ClN2O2
Molecular Weight206.67 g/mol
Exact Mass206.08
IUPAC Name(E)-4-amino-1-morpholin-4-ylbut-2-en-1-one;hydrochloride
SMILESCl.NC/C=C/C(=O)N1CCOCC1
InChIInChI=1S/C8H14N2O2.ClH/c9-3-1-2-8(11)10-4-6-12-7-5-10;/h1-2H,3-7,9H2;1H/b2-1+;
InChIKeyZBWNRJPVIVAYGP-TYYBGVCCSA-N
XLogP-0.22
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.67
LogP ≤ 5-0.22
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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Related Compounds

(E)-1,4-dimorpholin-4-ylbut-2-ene-1,4-dione
CID 728972
(E)-1-morpholin-4-ylhex-2-en-1-one
CID 135042779
(E)-4-amino-1-(3-methylpyrrolidin-1-yl)but-2-en-1-one
CID 130533208
ethane;(E)-1-morpholin-4-ylbut-2-en-1-one
CID 143019024
(E)-3-(methylamino)-1-morpholin-4-ylprop-2-en-1-one
CID 129407797
(E)-1-(aziridin-1-yl)pent-2-en-1-one
CID 131245090
but-2-enedioic acid;1-morpholin-4-ylprop-2-en-1-one
CID 158662750
(E)-4-amino-1-(2-methylthiomorpholin-4-yl)but-2-en-1-one
CID 130533325
N-(3-morpholin-4-yl-3-oxoprop-1-enyl)but-3-enamide
CID 139945979
(2R)-2-amino-1-morpholin-4-ylpropan-1-one;hydrochloride
CID 156637014
(Z)-3-morpholin-4-ylbut-2-enamide
CID 70579814
morpholine-4-carbohydrazide;hydrochloride
CID 138112583

Frequently Asked Questions

What is the IUPAC name of (E)-4-amino-1-morpholin-4-ylbut-2-en-1-one;hydrochloride?
The IUPAC name of (E)-4-amino-1-morpholin-4-ylbut-2-en-1-one;hydrochloride (CID 134163237) is (E)-4-amino-1-morpholin-4-ylbut-2-en-1-one;hydrochloride.
What is the SMILES notation for (E)-4-amino-1-morpholin-4-ylbut-2-en-1-one;hydrochloride?
The canonical SMILES for (E)-4-amino-1-morpholin-4-ylbut-2-en-1-one;hydrochloride is Cl.NC/C=C/C(=O)N1CCOCC1.
What is the InChIKey of (E)-4-amino-1-morpholin-4-ylbut-2-en-1-one;hydrochloride?
The InChIKey is ZBWNRJPVIVAYGP-TYYBGVCCSA-N. The full InChI is InChI=1S/C8H14N2O2.ClH/c9-3-1-2-8(11)10-4-6-12-7-5-10;/h1-2H,3-7,9H2;1H/b2-1+;.
What are the key properties of (E)-4-amino-1-morpholin-4-ylbut-2-en-1-one;hydrochloride?
(E)-4-amino-1-morpholin-4-ylbut-2-en-1-one;hydrochloride has a molecular weight of 206.67 g/mol, XLogP of -0.22, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-amino-1-morpholin-4-ylbut-2-en-1-one;hydrochloride is sourced from PubChem (CID 134163237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).