methyl 6-ethoxy-2-pent-4-enoyl-5,6-dihydrooxazine-4-carboxylate

C13H19NO5 — CID 11265669

IUPACmethyl 6-ethoxy-2-pent-4-enoyl-5,6-dihydrooxazine-4-carboxylate
SMILESC=CCCC(=O)N1C=C(C(=O)OC)CC(OCC)O1
InChIInChI=1S/C13H19NO5/c1-4-6-7-11(15)14-9-10(13(16)17-3)8-12(19-14)18-5-2/h4,9,12H,1,5-8H2,2-3H3
InChIKeyJCFYWSLNDRKTPK-UHFFFAOYSA-N
MW269.30 g/mol
LogP1.54
Rot. Bonds6

About methyl 6-ethoxy-2-pent-4-enoyl-5,6-dihydrooxazine-4-carboxylate

methyl 6-ethoxy-2-pent-4-enoyl-5,6-dihydrooxazine-4-carboxylate (PubChem CID 11265669) has the molecular formula C13H19NO5 and a molecular weight of 269.30 g/mol. Its IUPAC name is methyl 6-ethoxy-2-pent-4-enoyl-5,6-dihydrooxazine-4-carboxylate.

Molecular Properties

Compound Namemethyl 6-ethoxy-2-pent-4-enoyl-5,6-dihydrooxazine-4-carboxylate
PubChem CID11265669
Molecular FormulaC13H19NO5
Molecular Weight269.30 g/mol
Exact Mass269.13
IUPAC Namemethyl 6-ethoxy-2-pent-4-enoyl-5,6-dihydrooxazine-4-carboxylate
SMILESC=CCCC(=O)N1C=C(C(=O)OC)CC(OCC)O1
InChIInChI=1S/C13H19NO5/c1-4-6-7-11(15)14-9-10(13(16)17-3)8-12(19-14)18-5-2/h4,9,12H,1,5-8H2,2-3H3
InChIKeyJCFYWSLNDRKTPK-UHFFFAOYSA-N
XLogP1.54
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 51.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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 6-ethoxy-2-pent-4-enoyl-5,6-dihydrooxazine-4-carboxylate?
The IUPAC name of methyl 6-ethoxy-2-pent-4-enoyl-5,6-dihydrooxazine-4-carboxylate (CID 11265669) is methyl 6-ethoxy-2-pent-4-enoyl-5,6-dihydrooxazine-4-carboxylate.
What is the SMILES notation for methyl 6-ethoxy-2-pent-4-enoyl-5,6-dihydrooxazine-4-carboxylate?
The canonical SMILES for methyl 6-ethoxy-2-pent-4-enoyl-5,6-dihydrooxazine-4-carboxylate is C=CCCC(=O)N1C=C(C(=O)OC)CC(OCC)O1.
What is the InChIKey of methyl 6-ethoxy-2-pent-4-enoyl-5,6-dihydrooxazine-4-carboxylate?
The InChIKey is JCFYWSLNDRKTPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO5/c1-4-6-7-11(15)14-9-10(13(16)17-3)8-12(19-14)18-5-2/h4,9,12H,1,5-8H2,2-3H3.
What are the key properties of methyl 6-ethoxy-2-pent-4-enoyl-5,6-dihydrooxazine-4-carboxylate?
methyl 6-ethoxy-2-pent-4-enoyl-5,6-dihydrooxazine-4-carboxylate has a molecular weight of 269.30 g/mol, XLogP of 1.54, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-ethoxy-2-pent-4-enoyl-5,6-dihydrooxazine-4-carboxylate is sourced from PubChem (CID 11265669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).