prop-2-enyl 2-oxopyrrolidine-3-carboxylate

C8H11NO3 — CID 70598263

IUPACprop-2-enyl 2-oxopyrrolidine-3-carboxylate
SMILESC=CCOC(=O)C1CCNC1=O
InChIInChI=1S/C8H11NO3/c1-2-5-12-8(11)6-3-4-9-7(6)10/h2,6H,1,3-5H2,(H,9,10)
InChIKeyBSOYRVBYVHZTOZ-UHFFFAOYSA-N
MW169.18 g/mol
LogP-0.15
Rot. Bonds3

About prop-2-enyl 2-oxopyrrolidine-3-carboxylate

prop-2-enyl 2-oxopyrrolidine-3-carboxylate (PubChem CID 70598263) has the molecular formula C8H11NO3 and a molecular weight of 169.18 g/mol. Its IUPAC name is prop-2-enyl 2-oxopyrrolidine-3-carboxylate.

Molecular Properties

Compound Nameprop-2-enyl 2-oxopyrrolidine-3-carboxylate
PubChem CID70598263
Molecular FormulaC8H11NO3
Molecular Weight169.18 g/mol
Exact Mass169.07
IUPAC Nameprop-2-enyl 2-oxopyrrolidine-3-carboxylate
SMILESC=CCOC(=O)C1CCNC1=O
InChIInChI=1S/C8H11NO3/c1-2-5-12-8(11)6-3-4-9-7(6)10/h2,6H,1,3-5H2,(H,9,10)
InChIKeyBSOYRVBYVHZTOZ-UHFFFAOYSA-N
XLogP-0.15
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.18
LogP ≤ 5-0.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of prop-2-enyl 2-oxopyrrolidine-3-carboxylate?
The IUPAC name of prop-2-enyl 2-oxopyrrolidine-3-carboxylate (CID 70598263) is prop-2-enyl 2-oxopyrrolidine-3-carboxylate.
What is the SMILES notation for prop-2-enyl 2-oxopyrrolidine-3-carboxylate?
The canonical SMILES for prop-2-enyl 2-oxopyrrolidine-3-carboxylate is C=CCOC(=O)C1CCNC1=O.
What is the InChIKey of prop-2-enyl 2-oxopyrrolidine-3-carboxylate?
The InChIKey is BSOYRVBYVHZTOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO3/c1-2-5-12-8(11)6-3-4-9-7(6)10/h2,6H,1,3-5H2,(H,9,10).
What are the key properties of prop-2-enyl 2-oxopyrrolidine-3-carboxylate?
prop-2-enyl 2-oxopyrrolidine-3-carboxylate has a molecular weight of 169.18 g/mol, XLogP of -0.15, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enyl 2-oxopyrrolidine-3-carboxylate is sourced from PubChem (CID 70598263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).