(E)-4-morpholin-4-ylbut-2-enoic acid;hydrochloride

C8H14ClNO3 — CID 75481716

IUPAC(E)-4-morpholin-4-ylbut-2-enoic acid;hydrochloride
SMILESCl.O=C(O)/C=C/CN1CCOCC1
InChIInChI=1S/C8H13NO3.ClH/c10-8(11)2-1-3-9-4-6-12-7-5-9;/h1-2H,3-7H2,(H,10,11);1H/b2-1+;
InChIKeyDQELLWQXAROXTC-TYYBGVCCSA-N
MW207.66 g/mol
LogP0.38
Rot. Bonds3

About (E)-4-morpholin-4-ylbut-2-enoic acid;hydrochloride

(E)-4-morpholin-4-ylbut-2-enoic acid;hydrochloride (PubChem CID 75481716) has the molecular formula C8H14ClNO3 and a molecular weight of 207.66 g/mol. Its IUPAC name is (E)-4-morpholin-4-ylbut-2-enoic acid;hydrochloride.

Molecular Properties

Compound Name(E)-4-morpholin-4-ylbut-2-enoic acid;hydrochloride
PubChem CID75481716
Molecular FormulaC8H14ClNO3
Molecular Weight207.66 g/mol
Exact Mass207.07
IUPAC Name(E)-4-morpholin-4-ylbut-2-enoic acid;hydrochloride
SMILESCl.O=C(O)/C=C/CN1CCOCC1
InChIInChI=1S/C8H13NO3.ClH/c10-8(11)2-1-3-9-4-6-12-7-5-9;/h1-2H,3-7H2,(H,10,11);1H/b2-1+;
InChIKeyDQELLWQXAROXTC-TYYBGVCCSA-N
XLogP0.38
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.66
LogP ≤ 50.38
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

4-(Morpholin-4-yl)-4-oxobut-2-enoic acid
CID 676533
4-Morpholin-4-yl-4-oxobut-2-enoic acid
CID 229046
ethyl (2E)-4-(morpholin-4-yl)but-2-enoate
CID 80346587
Ethyl-4-morpholinobut-2-enoate
CID 129771186
(E)-4-morpholinobut-2-enoic acid
CID 22466617
2-Butenoic acid, 4-(morpholin-4-yl)-, methyl ester
CID 5374223
(Z)-4-morpholin-4-yl-4-oxobut-2-enoic acid
CID 1678756
(E)-4-(3-morpholin-4-ylpropoxy)-4-oxobut-2-enoic acid
CID 17768574
(E)-4-morpholin-4-yloxy-4-oxobut-2-enoic acid
CID 20138029
(E)-4-((2-methoxyethyl)(methyl)amino)but-2-enoic acid
CID 21697328
4-Morpholin-4-ylbut-2-enoic acid
CID 54046912
4-Morpholin-4-yloxy-4-oxobut-2-enoic acid
CID 57060308

Frequently Asked Questions

What is the IUPAC name of (E)-4-morpholin-4-ylbut-2-enoic acid;hydrochloride?
The IUPAC name of (E)-4-morpholin-4-ylbut-2-enoic acid;hydrochloride (CID 75481716) is (E)-4-morpholin-4-ylbut-2-enoic acid;hydrochloride.
What is the SMILES notation for (E)-4-morpholin-4-ylbut-2-enoic acid;hydrochloride?
The canonical SMILES for (E)-4-morpholin-4-ylbut-2-enoic acid;hydrochloride is Cl.O=C(O)/C=C/CN1CCOCC1.
What is the InChIKey of (E)-4-morpholin-4-ylbut-2-enoic acid;hydrochloride?
The InChIKey is DQELLWQXAROXTC-TYYBGVCCSA-N. The full InChI is InChI=1S/C8H13NO3.ClH/c10-8(11)2-1-3-9-4-6-12-7-5-9;/h1-2H,3-7H2,(H,10,11);1H/b2-1+;.
What are the key properties of (E)-4-morpholin-4-ylbut-2-enoic acid;hydrochloride?
(E)-4-morpholin-4-ylbut-2-enoic acid;hydrochloride has a molecular weight of 207.66 g/mol, XLogP of 0.38, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-morpholin-4-ylbut-2-enoic acid;hydrochloride is sourced from PubChem (CID 75481716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).