dimethyl (E)-2-morpholin-4-ylbut-2-enedioate

C10H15NO5 — CID 13086511

IUPACdimethyl (E)-2-morpholin-4-ylbut-2-enedioate
SMILESCOC(=O)/C=C(\C(=O)OC)N1CCOCC1
InChIInChI=1S/C10H15NO5/c1-14-9(12)7-8(10(13)15-2)11-3-5-16-6-4-11/h7H,3-6H2,1-2H3/b8-7+
InChIKeyXTMIDVPYETTWPT-BQYQJAHWSA-N
MW229.23 g/mol
LogP-0.45
Rot. Bonds3

About dimethyl (E)-2-morpholin-4-ylbut-2-enedioate

dimethyl (E)-2-morpholin-4-ylbut-2-enedioate (PubChem CID 13086511) has the molecular formula C10H15NO5 and a molecular weight of 229.23 g/mol. Its IUPAC name is dimethyl (E)-2-morpholin-4-ylbut-2-enedioate.

Molecular Properties

Compound Namedimethyl (E)-2-morpholin-4-ylbut-2-enedioate
PubChem CID13086511
Molecular FormulaC10H15NO5
Molecular Weight229.23 g/mol
Exact Mass229.10
IUPAC Namedimethyl (E)-2-morpholin-4-ylbut-2-enedioate
SMILESCOC(=O)/C=C(\C(=O)OC)N1CCOCC1
InChIInChI=1S/C10H15NO5/c1-14-9(12)7-8(10(13)15-2)11-3-5-16-6-4-11/h7H,3-6H2,1-2H3/b8-7+
InChIKeyXTMIDVPYETTWPT-BQYQJAHWSA-N
XLogP-0.45
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.23
LogP ≤ 5-0.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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 dimethyl (E)-2-morpholin-4-ylbut-2-enedioate?
The IUPAC name of dimethyl (E)-2-morpholin-4-ylbut-2-enedioate (CID 13086511) is dimethyl (E)-2-morpholin-4-ylbut-2-enedioate.
What is the SMILES notation for dimethyl (E)-2-morpholin-4-ylbut-2-enedioate?
The canonical SMILES for dimethyl (E)-2-morpholin-4-ylbut-2-enedioate is COC(=O)/C=C(\C(=O)OC)N1CCOCC1.
What is the InChIKey of dimethyl (E)-2-morpholin-4-ylbut-2-enedioate?
The InChIKey is XTMIDVPYETTWPT-BQYQJAHWSA-N. The full InChI is InChI=1S/C10H15NO5/c1-14-9(12)7-8(10(13)15-2)11-3-5-16-6-4-11/h7H,3-6H2,1-2H3/b8-7+.
What are the key properties of dimethyl (E)-2-morpholin-4-ylbut-2-enedioate?
dimethyl (E)-2-morpholin-4-ylbut-2-enedioate has a molecular weight of 229.23 g/mol, XLogP of -0.45, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl (E)-2-morpholin-4-ylbut-2-enedioate is sourced from PubChem (CID 13086511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).