methyl 4-but-3-enoylmorpholine-2-carboxylate

C10H15NO4 — CID 115535806

IUPACmethyl 4-but-3-enoylmorpholine-2-carboxylate
SMILESC=CCC(=O)N1CCOC(C(=O)OC)C1
InChIInChI=1S/C10H15NO4/c1-3-4-9(12)11-5-6-15-8(7-11)10(13)14-2/h3,8H,1,4-7H2,2H3
InChIKeyWDTFLZLZNRAPSE-UHFFFAOYSA-N
MW213.23 g/mol
LogP-0.04
Rot. Bonds3

About methyl 4-but-3-enoylmorpholine-2-carboxylate

methyl 4-but-3-enoylmorpholine-2-carboxylate (PubChem CID 115535806) has the molecular formula C10H15NO4 and a molecular weight of 213.23 g/mol. Its IUPAC name is methyl 4-but-3-enoylmorpholine-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-but-3-enoylmorpholine-2-carboxylate
PubChem CID115535806
Molecular FormulaC10H15NO4
Molecular Weight213.23 g/mol
Exact Mass213.10
IUPAC Namemethyl 4-but-3-enoylmorpholine-2-carboxylate
SMILESC=CCC(=O)N1CCOC(C(=O)OC)C1
InChIInChI=1S/C10H15NO4/c1-3-4-9(12)11-5-6-15-8(7-11)10(13)14-2/h3,8H,1,4-7H2,2H3
InChIKeyWDTFLZLZNRAPSE-UHFFFAOYSA-N
XLogP-0.04
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.23
LogP ≤ 5-0.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 methyl 4-but-3-enoylmorpholine-2-carboxylate?
The IUPAC name of methyl 4-but-3-enoylmorpholine-2-carboxylate (CID 115535806) is methyl 4-but-3-enoylmorpholine-2-carboxylate.
What is the SMILES notation for methyl 4-but-3-enoylmorpholine-2-carboxylate?
The canonical SMILES for methyl 4-but-3-enoylmorpholine-2-carboxylate is C=CCC(=O)N1CCOC(C(=O)OC)C1.
What is the InChIKey of methyl 4-but-3-enoylmorpholine-2-carboxylate?
The InChIKey is WDTFLZLZNRAPSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO4/c1-3-4-9(12)11-5-6-15-8(7-11)10(13)14-2/h3,8H,1,4-7H2,2H3.
What are the key properties of methyl 4-but-3-enoylmorpholine-2-carboxylate?
methyl 4-but-3-enoylmorpholine-2-carboxylate has a molecular weight of 213.23 g/mol, XLogP of -0.04, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-but-3-enoylmorpholine-2-carboxylate is sourced from PubChem (CID 115535806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).