3-oxopent-4-enyl prop-2-enoate

C8H10O3 — CID 20663747

IUPAC3-oxopent-4-enyl prop-2-enoate
SMILESC=CC(=O)CCOC(=O)C=C
InChIInChI=1S/C8H10O3/c1-3-7(9)5-6-11-8(10)4-2/h3-4H,1-2,5-6H2
InChIKeyPDTPPOGRMPEBFS-UHFFFAOYSA-N
MW154.16 g/mol
LogP0.86
Rot. Bonds5

About 3-oxopent-4-enyl prop-2-enoate

3-oxopent-4-enyl prop-2-enoate (PubChem CID 20663747) has the molecular formula C8H10O3 and a molecular weight of 154.16 g/mol. Its IUPAC name is 3-oxopent-4-enyl prop-2-enoate.

Molecular Properties

Compound Name3-oxopent-4-enyl prop-2-enoate
PubChem CID20663747
Molecular FormulaC8H10O3
Molecular Weight154.16 g/mol
Exact Mass154.06
IUPAC Name3-oxopent-4-enyl prop-2-enoate
SMILESC=CC(=O)CCOC(=O)C=C
InChIInChI=1S/C8H10O3/c1-3-7(9)5-6-11-8(10)4-2/h3-4H,1-2,5-6H2
InChIKeyPDTPPOGRMPEBFS-UHFFFAOYSA-N
XLogP0.86
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.16
LogP ≤ 50.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-oxopent-4-enyl prop-2-enoate?
The IUPAC name of 3-oxopent-4-enyl prop-2-enoate (CID 20663747) is 3-oxopent-4-enyl prop-2-enoate.
What is the SMILES notation for 3-oxopent-4-enyl prop-2-enoate?
The canonical SMILES for 3-oxopent-4-enyl prop-2-enoate is C=CC(=O)CCOC(=O)C=C.
What is the InChIKey of 3-oxopent-4-enyl prop-2-enoate?
The InChIKey is PDTPPOGRMPEBFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10O3/c1-3-7(9)5-6-11-8(10)4-2/h3-4H,1-2,5-6H2.
What are the key properties of 3-oxopent-4-enyl prop-2-enoate?
3-oxopent-4-enyl prop-2-enoate has a molecular weight of 154.16 g/mol, XLogP of 0.86, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-oxopent-4-enyl prop-2-enoate is sourced from PubChem (CID 20663747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).