ethenyl 2-(1-ethenylpyrrolidin-2-yl)-3-oxoprop-2-enoate

C11H13NO3 — CID 140997651

IUPACethenyl 2-(1-ethenylpyrrolidin-2-yl)-3-oxoprop-2-enoate
SMILESC=COC(=O)C(=C=O)C1CCCN1C=C
InChIInChI=1S/C11H13NO3/c1-3-12-7-5-6-10(12)9(8-13)11(14)15-4-2/h3-4,10H,1-2,5-7H2
InChIKeyIXWMWFPBVYXGQO-UHFFFAOYSA-N
MW207.23 g/mol
LogP1.04
Rot. Bonds4

About ethenyl 2-(1-ethenylpyrrolidin-2-yl)-3-oxoprop-2-enoate

ethenyl 2-(1-ethenylpyrrolidin-2-yl)-3-oxoprop-2-enoate (PubChem CID 140997651) has the molecular formula C11H13NO3 and a molecular weight of 207.23 g/mol. Its IUPAC name is ethenyl 2-(1-ethenylpyrrolidin-2-yl)-3-oxoprop-2-enoate.

Molecular Properties

Compound Nameethenyl 2-(1-ethenylpyrrolidin-2-yl)-3-oxoprop-2-enoate
PubChem CID140997651
Molecular FormulaC11H13NO3
Molecular Weight207.23 g/mol
Exact Mass207.09
IUPAC Nameethenyl 2-(1-ethenylpyrrolidin-2-yl)-3-oxoprop-2-enoate
SMILESC=COC(=O)C(=C=O)C1CCCN1C=C
InChIInChI=1S/C11H13NO3/c1-3-12-7-5-6-10(12)9(8-13)11(14)15-4-2/h3-4,10H,1-2,5-7H2
InChIKeyIXWMWFPBVYXGQO-UHFFFAOYSA-N
XLogP1.04
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.23
LogP ≤ 51.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethenyl 2-(1-ethenylpyrrolidin-2-yl)-3-oxoprop-2-enoate?
The IUPAC name of ethenyl 2-(1-ethenylpyrrolidin-2-yl)-3-oxoprop-2-enoate (CID 140997651) is ethenyl 2-(1-ethenylpyrrolidin-2-yl)-3-oxoprop-2-enoate.
What is the SMILES notation for ethenyl 2-(1-ethenylpyrrolidin-2-yl)-3-oxoprop-2-enoate?
The canonical SMILES for ethenyl 2-(1-ethenylpyrrolidin-2-yl)-3-oxoprop-2-enoate is C=COC(=O)C(=C=O)C1CCCN1C=C.
What is the InChIKey of ethenyl 2-(1-ethenylpyrrolidin-2-yl)-3-oxoprop-2-enoate?
The InChIKey is IXWMWFPBVYXGQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO3/c1-3-12-7-5-6-10(12)9(8-13)11(14)15-4-2/h3-4,10H,1-2,5-7H2.
What are the key properties of ethenyl 2-(1-ethenylpyrrolidin-2-yl)-3-oxoprop-2-enoate?
ethenyl 2-(1-ethenylpyrrolidin-2-yl)-3-oxoprop-2-enoate has a molecular weight of 207.23 g/mol, XLogP of 1.04, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethenyl 2-(1-ethenylpyrrolidin-2-yl)-3-oxoprop-2-enoate is sourced from PubChem (CID 140997651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).