ethyl 3-oxopent-4-enoate

C7H10O3 — CID 12536080

IUPACethyl 3-oxopent-4-enoate
SMILESC=CC(=O)CC(=O)OCC
InChIInChI=1S/C7H10O3/c1-3-6(8)5-7(9)10-4-2/h3H,1,4-5H2,2H3
InChIKeyIEZWUJDDYLWKEP-UHFFFAOYSA-N
MW142.15 g/mol
LogP0.69
Rot. Bonds4

About ethyl 3-oxopent-4-enoate

ethyl 3-oxopent-4-enoate (PubChem CID 12536080) has the molecular formula C7H10O3 and a molecular weight of 142.15 g/mol. Its IUPAC name is ethyl 3-oxopent-4-enoate.

Molecular Properties

Compound Nameethyl 3-oxopent-4-enoate
PubChem CID12536080
Molecular FormulaC7H10O3
Molecular Weight142.15 g/mol
Exact Mass142.06
IUPAC Nameethyl 3-oxopent-4-enoate
SMILESC=CC(=O)CC(=O)OCC
InChIInChI=1S/C7H10O3/c1-3-6(8)5-7(9)10-4-2/h3H,1,4-5H2,2H3
InChIKeyIEZWUJDDYLWKEP-UHFFFAOYSA-N
XLogP0.69
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.15
LogP ≤ 50.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', '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 3-oxopent-4-enoate?
The IUPAC name of ethyl 3-oxopent-4-enoate (CID 12536080) is ethyl 3-oxopent-4-enoate.
What is the SMILES notation for ethyl 3-oxopent-4-enoate?
The canonical SMILES for ethyl 3-oxopent-4-enoate is C=CC(=O)CC(=O)OCC.
What is the InChIKey of ethyl 3-oxopent-4-enoate?
The InChIKey is IEZWUJDDYLWKEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10O3/c1-3-6(8)5-7(9)10-4-2/h3H,1,4-5H2,2H3.
What are the key properties of ethyl 3-oxopent-4-enoate?
ethyl 3-oxopent-4-enoate has a molecular weight of 142.15 g/mol, XLogP of 0.69, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-oxopent-4-enoate is sourced from PubChem (CID 12536080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).