ethenyl 4-(2-oxopyrrolidin-1-yl)but-3-enoate

C10H13NO3 — CID 66730351

IUPACethenyl 4-(2-oxopyrrolidin-1-yl)but-3-enoate
SMILESC=COC(=O)CC=CN1CCCC1=O
InChIInChI=1S/C10H13NO3/c1-2-14-10(13)6-4-8-11-7-3-5-9(11)12/h2,4,8H,1,3,5-7H2
InChIKeyRQLYADFZNQPOHX-UHFFFAOYSA-N
MW195.22 g/mol
LogP1.20
Rot. Bonds4

About ethenyl 4-(2-oxopyrrolidin-1-yl)but-3-enoate

ethenyl 4-(2-oxopyrrolidin-1-yl)but-3-enoate (PubChem CID 66730351) has the molecular formula C10H13NO3 and a molecular weight of 195.22 g/mol. Its IUPAC name is ethenyl 4-(2-oxopyrrolidin-1-yl)but-3-enoate.

Molecular Properties

Compound Nameethenyl 4-(2-oxopyrrolidin-1-yl)but-3-enoate
PubChem CID66730351
Molecular FormulaC10H13NO3
Molecular Weight195.22 g/mol
Exact Mass195.09
IUPAC Nameethenyl 4-(2-oxopyrrolidin-1-yl)but-3-enoate
SMILESC=COC(=O)CC=CN1CCCC1=O
InChIInChI=1S/C10H13NO3/c1-2-14-10(13)6-4-8-11-7-3-5-9(11)12/h2,4,8H,1,3,5-7H2
InChIKeyRQLYADFZNQPOHX-UHFFFAOYSA-N
XLogP1.20
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.22
LogP ≤ 51.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethenyl 4-(2-oxopyrrolidin-1-yl)but-3-enoate?
The IUPAC name of ethenyl 4-(2-oxopyrrolidin-1-yl)but-3-enoate (CID 66730351) is ethenyl 4-(2-oxopyrrolidin-1-yl)but-3-enoate.
What is the SMILES notation for ethenyl 4-(2-oxopyrrolidin-1-yl)but-3-enoate?
The canonical SMILES for ethenyl 4-(2-oxopyrrolidin-1-yl)but-3-enoate is C=COC(=O)CC=CN1CCCC1=O.
What is the InChIKey of ethenyl 4-(2-oxopyrrolidin-1-yl)but-3-enoate?
The InChIKey is RQLYADFZNQPOHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO3/c1-2-14-10(13)6-4-8-11-7-3-5-9(11)12/h2,4,8H,1,3,5-7H2.
What are the key properties of ethenyl 4-(2-oxopyrrolidin-1-yl)but-3-enoate?
ethenyl 4-(2-oxopyrrolidin-1-yl)but-3-enoate has a molecular weight of 195.22 g/mol, XLogP of 1.20, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethenyl 4-(2-oxopyrrolidin-1-yl)but-3-enoate is sourced from PubChem (CID 66730351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).