4-ethoxy-2-(3-oxoprop-2-enyl)piperazine-1-carbaldehyde

C10H16N2O3 — CID 88653309

IUPAC4-ethoxy-2-(3-oxoprop-2-enyl)piperazine-1-carbaldehyde
SMILESCCON1CCN(C=O)C(CC=C=O)C1
InChIInChI=1S/C10H16N2O3/c1-2-15-12-6-5-11(9-14)10(8-12)4-3-7-13/h3,9-10H,2,4-6,8H2,1H3
InChIKeyMGMITGRSBMEXGN-UHFFFAOYSA-N
MW212.25 g/mol
LogP-0.14
Rot. Bonds5

About 4-ethoxy-2-(3-oxoprop-2-enyl)piperazine-1-carbaldehyde

4-ethoxy-2-(3-oxoprop-2-enyl)piperazine-1-carbaldehyde (PubChem CID 88653309) has the molecular formula C10H16N2O3 and a molecular weight of 212.25 g/mol. Its IUPAC name is 4-ethoxy-2-(3-oxoprop-2-enyl)piperazine-1-carbaldehyde.

Molecular Properties

Compound Name4-ethoxy-2-(3-oxoprop-2-enyl)piperazine-1-carbaldehyde
PubChem CID88653309
Molecular FormulaC10H16N2O3
Molecular Weight212.25 g/mol
Exact Mass212.12
IUPAC Name4-ethoxy-2-(3-oxoprop-2-enyl)piperazine-1-carbaldehyde
SMILESCCON1CCN(C=O)C(CC=C=O)C1
InChIInChI=1S/C10H16N2O3/c1-2-15-12-6-5-11(9-14)10(8-12)4-3-7-13/h3,9-10H,2,4-6,8H2,1H3
InChIKeyMGMITGRSBMEXGN-UHFFFAOYSA-N
XLogP-0.14
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.25
LogP ≤ 5-0.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-2-(3-oxoprop-2-enyl)piperazine-1-carbaldehyde?
The IUPAC name of 4-ethoxy-2-(3-oxoprop-2-enyl)piperazine-1-carbaldehyde (CID 88653309) is 4-ethoxy-2-(3-oxoprop-2-enyl)piperazine-1-carbaldehyde.
What is the SMILES notation for 4-ethoxy-2-(3-oxoprop-2-enyl)piperazine-1-carbaldehyde?
The canonical SMILES for 4-ethoxy-2-(3-oxoprop-2-enyl)piperazine-1-carbaldehyde is CCON1CCN(C=O)C(CC=C=O)C1.
What is the InChIKey of 4-ethoxy-2-(3-oxoprop-2-enyl)piperazine-1-carbaldehyde?
The InChIKey is MGMITGRSBMEXGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O3/c1-2-15-12-6-5-11(9-14)10(8-12)4-3-7-13/h3,9-10H,2,4-6,8H2,1H3.
What are the key properties of 4-ethoxy-2-(3-oxoprop-2-enyl)piperazine-1-carbaldehyde?
4-ethoxy-2-(3-oxoprop-2-enyl)piperazine-1-carbaldehyde has a molecular weight of 212.25 g/mol, XLogP of -0.14, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-2-(3-oxoprop-2-enyl)piperazine-1-carbaldehyde is sourced from PubChem (CID 88653309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).