prop-2-enyl 3-oxopiperazine-1-carboxylate

C8H12N2O3 — CID 19971570

IUPACprop-2-enyl 3-oxopiperazine-1-carboxylate
SMILESC=CCOC(=O)N1CCNC(=O)C1
InChIInChI=1S/C8H12N2O3/c1-2-5-13-8(12)10-4-3-9-7(11)6-10/h2H,1,3-6H2,(H,9,11)
InChIKeyLYQQSNCMRCZZIS-UHFFFAOYSA-N
MW184.19 g/mol
LogP-0.26
Rot. Bonds2

About prop-2-enyl 3-oxopiperazine-1-carboxylate

prop-2-enyl 3-oxopiperazine-1-carboxylate (PubChem CID 19971570) has the molecular formula C8H12N2O3 and a molecular weight of 184.19 g/mol. Its IUPAC name is prop-2-enyl 3-oxopiperazine-1-carboxylate.

Molecular Properties

Compound Nameprop-2-enyl 3-oxopiperazine-1-carboxylate
PubChem CID19971570
Molecular FormulaC8H12N2O3
Molecular Weight184.19 g/mol
Exact Mass184.08
IUPAC Nameprop-2-enyl 3-oxopiperazine-1-carboxylate
SMILESC=CCOC(=O)N1CCNC(=O)C1
InChIInChI=1S/C8H12N2O3/c1-2-5-13-8(12)10-4-3-9-7(11)6-10/h2H,1,3-6H2,(H,9,11)
InChIKeyLYQQSNCMRCZZIS-UHFFFAOYSA-N
XLogP-0.26
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.19
LogP ≤ 5-0.26
H-Bond Donors ≤ 51
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 prop-2-enyl 3-oxopiperazine-1-carboxylate?
The IUPAC name of prop-2-enyl 3-oxopiperazine-1-carboxylate (CID 19971570) is prop-2-enyl 3-oxopiperazine-1-carboxylate.
What is the SMILES notation for prop-2-enyl 3-oxopiperazine-1-carboxylate?
The canonical SMILES for prop-2-enyl 3-oxopiperazine-1-carboxylate is C=CCOC(=O)N1CCNC(=O)C1.
What is the InChIKey of prop-2-enyl 3-oxopiperazine-1-carboxylate?
The InChIKey is LYQQSNCMRCZZIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O3/c1-2-5-13-8(12)10-4-3-9-7(11)6-10/h2H,1,3-6H2,(H,9,11).
What are the key properties of prop-2-enyl 3-oxopiperazine-1-carboxylate?
prop-2-enyl 3-oxopiperazine-1-carboxylate has a molecular weight of 184.19 g/mol, XLogP of -0.26, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enyl 3-oxopiperazine-1-carboxylate is sourced from PubChem (CID 19971570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).