prop-2-enyl 3-oxo-3-piperazin-1-ylpropanoate

C10H16N2O3 — CID 70660573

IUPACprop-2-enyl 3-oxo-3-piperazin-1-ylpropanoate
SMILESC=CCOC(=O)CC(=O)N1CCNCC1
InChIInChI=1S/C10H16N2O3/c1-2-7-15-10(14)8-9(13)12-5-3-11-4-6-12/h2,11H,1,3-8H2
InChIKeyJAAHNGRQGHAJFX-UHFFFAOYSA-N
MW212.25 g/mol
LogP-0.46
Rot. Bonds4

About prop-2-enyl 3-oxo-3-piperazin-1-ylpropanoate

prop-2-enyl 3-oxo-3-piperazin-1-ylpropanoate (PubChem CID 70660573) has the molecular formula C10H16N2O3 and a molecular weight of 212.25 g/mol. Its IUPAC name is prop-2-enyl 3-oxo-3-piperazin-1-ylpropanoate.

Molecular Properties

Compound Nameprop-2-enyl 3-oxo-3-piperazin-1-ylpropanoate
PubChem CID70660573
Molecular FormulaC10H16N2O3
Molecular Weight212.25 g/mol
Exact Mass212.12
IUPAC Nameprop-2-enyl 3-oxo-3-piperazin-1-ylpropanoate
SMILESC=CCOC(=O)CC(=O)N1CCNCC1
InChIInChI=1S/C10H16N2O3/c1-2-7-15-10(14)8-9(13)12-5-3-11-4-6-12/h2,11H,1,3-8H2
InChIKeyJAAHNGRQGHAJFX-UHFFFAOYSA-N
XLogP-0.46
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.25
LogP ≤ 5-0.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 3-oxo-3-piperazin-1-ylpropanoate?
The IUPAC name of prop-2-enyl 3-oxo-3-piperazin-1-ylpropanoate (CID 70660573) is prop-2-enyl 3-oxo-3-piperazin-1-ylpropanoate.
What is the SMILES notation for prop-2-enyl 3-oxo-3-piperazin-1-ylpropanoate?
The canonical SMILES for prop-2-enyl 3-oxo-3-piperazin-1-ylpropanoate is C=CCOC(=O)CC(=O)N1CCNCC1.
What is the InChIKey of prop-2-enyl 3-oxo-3-piperazin-1-ylpropanoate?
The InChIKey is JAAHNGRQGHAJFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O3/c1-2-7-15-10(14)8-9(13)12-5-3-11-4-6-12/h2,11H,1,3-8H2.
What are the key properties of prop-2-enyl 3-oxo-3-piperazin-1-ylpropanoate?
prop-2-enyl 3-oxo-3-piperazin-1-ylpropanoate has a molecular weight of 212.25 g/mol, XLogP of -0.46, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enyl 3-oxo-3-piperazin-1-ylpropanoate is sourced from PubChem (CID 70660573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).