ethenyl 2-chloro-2-(1-ethenyl-2-oxopyrrolidin-3-yl)acetate

C10H12ClNO3 — CID 139994557

IUPACethenyl 2-chloro-2-(1-ethenyl-2-oxopyrrolidin-3-yl)acetate
SMILESC=COC(=O)C(Cl)C1CCN(C=C)C1=O
InChIInChI=1S/C10H12ClNO3/c1-3-12-6-5-7(9(12)13)8(11)10(14)15-4-2/h3-4,7-8H,1-2,5-6H2
InChIKeyFMQWYGDBYCRQTQ-UHFFFAOYSA-N
MW229.66 g/mol
LogP1.27
Rot. Bonds4

About ethenyl 2-chloro-2-(1-ethenyl-2-oxopyrrolidin-3-yl)acetate

ethenyl 2-chloro-2-(1-ethenyl-2-oxopyrrolidin-3-yl)acetate (PubChem CID 139994557) has the molecular formula C10H12ClNO3 and a molecular weight of 229.66 g/mol. Its IUPAC name is ethenyl 2-chloro-2-(1-ethenyl-2-oxopyrrolidin-3-yl)acetate.

Molecular Properties

Compound Nameethenyl 2-chloro-2-(1-ethenyl-2-oxopyrrolidin-3-yl)acetate
PubChem CID139994557
Molecular FormulaC10H12ClNO3
Molecular Weight229.66 g/mol
Exact Mass229.05
IUPAC Nameethenyl 2-chloro-2-(1-ethenyl-2-oxopyrrolidin-3-yl)acetate
SMILESC=COC(=O)C(Cl)C1CCN(C=C)C1=O
InChIInChI=1S/C10H12ClNO3/c1-3-12-6-5-7(9(12)13)8(11)10(14)15-4-2/h3-4,7-8H,1-2,5-6H2
InChIKeyFMQWYGDBYCRQTQ-UHFFFAOYSA-N
XLogP1.27
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.66
LogP ≤ 51.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethenyl 2-chloro-2-(1-ethenyl-2-oxopyrrolidin-3-yl)acetate?
The IUPAC name of ethenyl 2-chloro-2-(1-ethenyl-2-oxopyrrolidin-3-yl)acetate (CID 139994557) is ethenyl 2-chloro-2-(1-ethenyl-2-oxopyrrolidin-3-yl)acetate.
What is the SMILES notation for ethenyl 2-chloro-2-(1-ethenyl-2-oxopyrrolidin-3-yl)acetate?
The canonical SMILES for ethenyl 2-chloro-2-(1-ethenyl-2-oxopyrrolidin-3-yl)acetate is C=COC(=O)C(Cl)C1CCN(C=C)C1=O.
What is the InChIKey of ethenyl 2-chloro-2-(1-ethenyl-2-oxopyrrolidin-3-yl)acetate?
The InChIKey is FMQWYGDBYCRQTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClNO3/c1-3-12-6-5-7(9(12)13)8(11)10(14)15-4-2/h3-4,7-8H,1-2,5-6H2.
What are the key properties of ethenyl 2-chloro-2-(1-ethenyl-2-oxopyrrolidin-3-yl)acetate?
ethenyl 2-chloro-2-(1-ethenyl-2-oxopyrrolidin-3-yl)acetate has a molecular weight of 229.66 g/mol, XLogP of 1.27, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethenyl 2-chloro-2-(1-ethenyl-2-oxopyrrolidin-3-yl)acetate is sourced from PubChem (CID 139994557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).