1-(2-oxopyrrolidin-1-yl)ethyl prop-2-enoate

C9H13NO3 — CID 22395561

IUPAC1-(2-oxopyrrolidin-1-yl)ethyl prop-2-enoate
SMILESC=CC(=O)OC(C)N1CCCC1=O
InChIInChI=1S/C9H13NO3/c1-3-9(12)13-7(2)10-6-4-5-8(10)11/h3,7H,1,4-6H2,2H3
InChIKeyVKTYIHIENACDDF-UHFFFAOYSA-N
MW183.21 g/mol
LogP0.68
Rot. Bonds3

About 1-(2-oxopyrrolidin-1-yl)ethyl prop-2-enoate

1-(2-oxopyrrolidin-1-yl)ethyl prop-2-enoate (PubChem CID 22395561) has the molecular formula C9H13NO3 and a molecular weight of 183.21 g/mol. Its IUPAC name is 1-(2-oxopyrrolidin-1-yl)ethyl prop-2-enoate.

Molecular Properties

Compound Name1-(2-oxopyrrolidin-1-yl)ethyl prop-2-enoate
PubChem CID22395561
Molecular FormulaC9H13NO3
Molecular Weight183.21 g/mol
Exact Mass183.09
IUPAC Name1-(2-oxopyrrolidin-1-yl)ethyl prop-2-enoate
SMILESC=CC(=O)OC(C)N1CCCC1=O
InChIInChI=1S/C9H13NO3/c1-3-9(12)13-7(2)10-6-4-5-8(10)11/h3,7H,1,4-6H2,2H3
InChIKeyVKTYIHIENACDDF-UHFFFAOYSA-N
XLogP0.68
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.21
LogP ≤ 50.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(2-oxopyrrolidin-1-yl)ethyl prop-2-enoate?
The IUPAC name of 1-(2-oxopyrrolidin-1-yl)ethyl prop-2-enoate (CID 22395561) is 1-(2-oxopyrrolidin-1-yl)ethyl prop-2-enoate.
What is the SMILES notation for 1-(2-oxopyrrolidin-1-yl)ethyl prop-2-enoate?
The canonical SMILES for 1-(2-oxopyrrolidin-1-yl)ethyl prop-2-enoate is C=CC(=O)OC(C)N1CCCC1=O.
What is the InChIKey of 1-(2-oxopyrrolidin-1-yl)ethyl prop-2-enoate?
The InChIKey is VKTYIHIENACDDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO3/c1-3-9(12)13-7(2)10-6-4-5-8(10)11/h3,7H,1,4-6H2,2H3.
What are the key properties of 1-(2-oxopyrrolidin-1-yl)ethyl prop-2-enoate?
1-(2-oxopyrrolidin-1-yl)ethyl prop-2-enoate has a molecular weight of 183.21 g/mol, XLogP of 0.68, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-oxopyrrolidin-1-yl)ethyl prop-2-enoate is sourced from PubChem (CID 22395561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).