ethyl (E)-2-oxopent-3-enoate

C7H10O3 — CID 11228854

IUPACethyl (E)-2-oxopent-3-enoate
SMILESC/C=C/C(=O)C(=O)OCC
InChIInChI=1S/C7H10O3/c1-3-5-6(8)7(9)10-4-2/h3,5H,4H2,1-2H3/b5-3+
InChIKeyBBCPWTXHCNIPOT-HWKANZROSA-N
MW142.15 g/mol
LogP0.69
Rot. Bonds3

About ethyl (E)-2-oxopent-3-enoate

ethyl (E)-2-oxopent-3-enoate (PubChem CID 11228854) has the molecular formula C7H10O3 and a molecular weight of 142.15 g/mol. Its IUPAC name is ethyl (E)-2-oxopent-3-enoate.

Molecular Properties

Compound Nameethyl (E)-2-oxopent-3-enoate
PubChem CID11228854
Molecular FormulaC7H10O3
Molecular Weight142.15 g/mol
Exact Mass142.06
IUPAC Nameethyl (E)-2-oxopent-3-enoate
SMILESC/C=C/C(=O)C(=O)OCC
InChIInChI=1S/C7H10O3/c1-3-5-6(8)7(9)10-4-2/h3,5H,4H2,1-2H3/b5-3+
InChIKeyBBCPWTXHCNIPOT-HWKANZROSA-N
XLogP0.69
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
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': 'diketo_group', '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 (E)-2-oxopent-3-enoate?
The IUPAC name of ethyl (E)-2-oxopent-3-enoate (CID 11228854) is ethyl (E)-2-oxopent-3-enoate.
What is the SMILES notation for ethyl (E)-2-oxopent-3-enoate?
The canonical SMILES for ethyl (E)-2-oxopent-3-enoate is C/C=C/C(=O)C(=O)OCC.
What is the InChIKey of ethyl (E)-2-oxopent-3-enoate?
The InChIKey is BBCPWTXHCNIPOT-HWKANZROSA-N. The full InChI is InChI=1S/C7H10O3/c1-3-5-6(8)7(9)10-4-2/h3,5H,4H2,1-2H3/b5-3+.
What are the key properties of ethyl (E)-2-oxopent-3-enoate?
ethyl (E)-2-oxopent-3-enoate has a molecular weight of 142.15 g/mol, XLogP of 0.69, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (E)-2-oxopent-3-enoate is sourced from PubChem (CID 11228854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).