methyl 4-pent-4-enoylmorpholine-2-carboxylate

C11H17NO4 — CID 78926693

IUPACmethyl 4-pent-4-enoylmorpholine-2-carboxylate
SMILESC=CCCC(=O)N1CCOC(C(=O)OC)C1
InChIInChI=1S/C11H17NO4/c1-3-4-5-10(13)12-6-7-16-9(8-12)11(14)15-2/h3,9H,1,4-8H2,2H3
InChIKeySFGLKADCKOLADO-UHFFFAOYSA-N
MW227.26 g/mol
LogP0.35
Rot. Bonds4

About methyl 4-pent-4-enoylmorpholine-2-carboxylate

methyl 4-pent-4-enoylmorpholine-2-carboxylate (PubChem CID 78926693) has the molecular formula C11H17NO4 and a molecular weight of 227.26 g/mol. Its IUPAC name is methyl 4-pent-4-enoylmorpholine-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-pent-4-enoylmorpholine-2-carboxylate
PubChem CID78926693
Molecular FormulaC11H17NO4
Molecular Weight227.26 g/mol
Exact Mass227.12
IUPAC Namemethyl 4-pent-4-enoylmorpholine-2-carboxylate
SMILESC=CCCC(=O)N1CCOC(C(=O)OC)C1
InChIInChI=1S/C11H17NO4/c1-3-4-5-10(13)12-6-7-16-9(8-12)11(14)15-2/h3,9H,1,4-8H2,2H3
InChIKeySFGLKADCKOLADO-UHFFFAOYSA-N
XLogP0.35
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.26
LogP ≤ 50.35
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-pent-4-enoylmorpholine-2-carboxylate?
The IUPAC name of methyl 4-pent-4-enoylmorpholine-2-carboxylate (CID 78926693) is methyl 4-pent-4-enoylmorpholine-2-carboxylate.
What is the SMILES notation for methyl 4-pent-4-enoylmorpholine-2-carboxylate?
The canonical SMILES for methyl 4-pent-4-enoylmorpholine-2-carboxylate is C=CCCC(=O)N1CCOC(C(=O)OC)C1.
What is the InChIKey of methyl 4-pent-4-enoylmorpholine-2-carboxylate?
The InChIKey is SFGLKADCKOLADO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO4/c1-3-4-5-10(13)12-6-7-16-9(8-12)11(14)15-2/h3,9H,1,4-8H2,2H3.
What are the key properties of methyl 4-pent-4-enoylmorpholine-2-carboxylate?
methyl 4-pent-4-enoylmorpholine-2-carboxylate has a molecular weight of 227.26 g/mol, XLogP of 0.35, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-pent-4-enoylmorpholine-2-carboxylate is sourced from PubChem (CID 78926693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).