[(2R)-1-oxo-1-pyrrolidin-1-ylbut-3-en-2-yl] acetate

C10H15NO3 — CID 178172823

IUPAC[(2R)-1-oxo-1-pyrrolidin-1-ylbut-3-en-2-yl] acetate
SMILESC=C[C@@H](OC(C)=O)C(=O)N1CCCC1
InChIInChI=1S/C10H15NO3/c1-3-9(14-8(2)12)10(13)11-6-4-5-7-11/h3,9H,1,4-7H2,2H3/t9-/m1/s1
InChIKeyDTUKCUBKQZRGNB-SECBINFHSA-N
MW197.23 g/mol
LogP0.73
Rot. Bonds3

About [(2R)-1-oxo-1-pyrrolidin-1-ylbut-3-en-2-yl] acetate

[(2R)-1-oxo-1-pyrrolidin-1-ylbut-3-en-2-yl] acetate (PubChem CID 178172823) has the molecular formula C10H15NO3 and a molecular weight of 197.23 g/mol. Its IUPAC name is [(2R)-1-oxo-1-pyrrolidin-1-ylbut-3-en-2-yl] acetate.

Molecular Properties

Compound Name[(2R)-1-oxo-1-pyrrolidin-1-ylbut-3-en-2-yl] acetate
PubChem CID178172823
Molecular FormulaC10H15NO3
Molecular Weight197.23 g/mol
Exact Mass197.11
IUPAC Name[(2R)-1-oxo-1-pyrrolidin-1-ylbut-3-en-2-yl] acetate
SMILESC=C[C@@H](OC(C)=O)C(=O)N1CCCC1
InChIInChI=1S/C10H15NO3/c1-3-9(14-8(2)12)10(13)11-6-4-5-7-11/h3,9H,1,4-7H2,2H3/t9-/m1/s1
InChIKeyDTUKCUBKQZRGNB-SECBINFHSA-N
XLogP0.73
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.23
LogP ≤ 50.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(2R)-1-oxo-1-pyrrolidin-1-ylbut-3-en-2-yl] acetate?
The IUPAC name of [(2R)-1-oxo-1-pyrrolidin-1-ylbut-3-en-2-yl] acetate (CID 178172823) is [(2R)-1-oxo-1-pyrrolidin-1-ylbut-3-en-2-yl] acetate.
What is the SMILES notation for [(2R)-1-oxo-1-pyrrolidin-1-ylbut-3-en-2-yl] acetate?
The canonical SMILES for [(2R)-1-oxo-1-pyrrolidin-1-ylbut-3-en-2-yl] acetate is C=C[C@@H](OC(C)=O)C(=O)N1CCCC1.
What is the InChIKey of [(2R)-1-oxo-1-pyrrolidin-1-ylbut-3-en-2-yl] acetate?
The InChIKey is DTUKCUBKQZRGNB-SECBINFHSA-N. The full InChI is InChI=1S/C10H15NO3/c1-3-9(14-8(2)12)10(13)11-6-4-5-7-11/h3,9H,1,4-7H2,2H3/t9-/m1/s1.
What are the key properties of [(2R)-1-oxo-1-pyrrolidin-1-ylbut-3-en-2-yl] acetate?
[(2R)-1-oxo-1-pyrrolidin-1-ylbut-3-en-2-yl] acetate has a molecular weight of 197.23 g/mol, XLogP of 0.73, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-oxo-1-pyrrolidin-1-ylbut-3-en-2-yl] acetate is sourced from PubChem (CID 178172823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).