ethyl (Z)-3-(diethylcarbamoyloxy)but-2-enoate

C11H19NO4 — CID 102313670

IUPACethyl (Z)-3-(diethylcarbamoyloxy)but-2-enoate
SMILESCCOC(=O)/C=C(/C)OC(=O)N(CC)CC
InChIInChI=1S/C11H19NO4/c1-5-12(6-2)11(14)16-9(4)8-10(13)15-7-3/h8H,5-7H2,1-4H3/b9-8-
InChIKeySCYMOUAPDQUEHU-HJWRWDBZSA-N
MW229.28 g/mol
LogP1.93
Rot. Bonds5

About ethyl (Z)-3-(diethylcarbamoyloxy)but-2-enoate

ethyl (Z)-3-(diethylcarbamoyloxy)but-2-enoate (PubChem CID 102313670) has the molecular formula C11H19NO4 and a molecular weight of 229.28 g/mol. Its IUPAC name is ethyl (Z)-3-(diethylcarbamoyloxy)but-2-enoate.

Molecular Properties

Compound Nameethyl (Z)-3-(diethylcarbamoyloxy)but-2-enoate
PubChem CID102313670
Molecular FormulaC11H19NO4
Molecular Weight229.28 g/mol
Exact Mass229.13
IUPAC Nameethyl (Z)-3-(diethylcarbamoyloxy)but-2-enoate
SMILESCCOC(=O)/C=C(/C)OC(=O)N(CC)CC
InChIInChI=1S/C11H19NO4/c1-5-12(6-2)11(14)16-9(4)8-10(13)15-7-3/h8H,5-7H2,1-4H3/b9-8-
InChIKeySCYMOUAPDQUEHU-HJWRWDBZSA-N
XLogP1.93
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethyl (Z)-3-(diethylcarbamoyloxy)but-2-enoate?
The IUPAC name of ethyl (Z)-3-(diethylcarbamoyloxy)but-2-enoate (CID 102313670) is ethyl (Z)-3-(diethylcarbamoyloxy)but-2-enoate.
What is the SMILES notation for ethyl (Z)-3-(diethylcarbamoyloxy)but-2-enoate?
The canonical SMILES for ethyl (Z)-3-(diethylcarbamoyloxy)but-2-enoate is CCOC(=O)/C=C(/C)OC(=O)N(CC)CC.
What is the InChIKey of ethyl (Z)-3-(diethylcarbamoyloxy)but-2-enoate?
The InChIKey is SCYMOUAPDQUEHU-HJWRWDBZSA-N. The full InChI is InChI=1S/C11H19NO4/c1-5-12(6-2)11(14)16-9(4)8-10(13)15-7-3/h8H,5-7H2,1-4H3/b9-8-.
What are the key properties of ethyl (Z)-3-(diethylcarbamoyloxy)but-2-enoate?
ethyl (Z)-3-(diethylcarbamoyloxy)but-2-enoate has a molecular weight of 229.28 g/mol, XLogP of 1.93, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (Z)-3-(diethylcarbamoyloxy)but-2-enoate is sourced from PubChem (CID 102313670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).