4-[(2Z)-2-[(E)-1-aminoprop-1-enyl]penta-2,4-dienyl]piperazin-2-one

C12H19N3O — CID 88905276

IUPAC4-[(2Z)-2-[(E)-1-aminoprop-1-enyl]penta-2,4-dienyl]piperazin-2-one
SMILESC=C/C=C(CN1CCNC(=O)C1)\C(N)=C/C
InChIInChI=1S/C12H19N3O/c1-3-5-10(11(13)4-2)8-15-7-6-14-12(16)9-15/h3-5H,1,6-9,13H2,2H3,(H,14,16)/b10-5-,11-4+
InChIKeyFYJQELUOTFMZNK-AOXYUYCMSA-N
MW221.30 g/mol
LogP0.39
Rot. Bonds4

About 4-[(2Z)-2-[(E)-1-aminoprop-1-enyl]penta-2,4-dienyl]piperazin-2-one

4-[(2Z)-2-[(E)-1-aminoprop-1-enyl]penta-2,4-dienyl]piperazin-2-one (PubChem CID 88905276) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is 4-[(2Z)-2-[(E)-1-aminoprop-1-enyl]penta-2,4-dienyl]piperazin-2-one.

Molecular Properties

Compound Name4-[(2Z)-2-[(E)-1-aminoprop-1-enyl]penta-2,4-dienyl]piperazin-2-one
PubChem CID88905276
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC Name4-[(2Z)-2-[(E)-1-aminoprop-1-enyl]penta-2,4-dienyl]piperazin-2-one
SMILESC=C/C=C(CN1CCNC(=O)C1)\C(N)=C/C
InChIInChI=1S/C12H19N3O/c1-3-5-10(11(13)4-2)8-15-7-6-14-12(16)9-15/h3-5H,1,6-9,13H2,2H3,(H,14,16)/b10-5-,11-4+
InChIKeyFYJQELUOTFMZNK-AOXYUYCMSA-N
XLogP0.39
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 50.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[(2Z)-2-[(E)-1-aminoprop-1-enyl]penta-2,4-dienyl]piperazin-2-one?
The IUPAC name of 4-[(2Z)-2-[(E)-1-aminoprop-1-enyl]penta-2,4-dienyl]piperazin-2-one (CID 88905276) is 4-[(2Z)-2-[(E)-1-aminoprop-1-enyl]penta-2,4-dienyl]piperazin-2-one.
What is the SMILES notation for 4-[(2Z)-2-[(E)-1-aminoprop-1-enyl]penta-2,4-dienyl]piperazin-2-one?
The canonical SMILES for 4-[(2Z)-2-[(E)-1-aminoprop-1-enyl]penta-2,4-dienyl]piperazin-2-one is C=C/C=C(CN1CCNC(=O)C1)\C(N)=C/C.
What is the InChIKey of 4-[(2Z)-2-[(E)-1-aminoprop-1-enyl]penta-2,4-dienyl]piperazin-2-one?
The InChIKey is FYJQELUOTFMZNK-AOXYUYCMSA-N. The full InChI is InChI=1S/C12H19N3O/c1-3-5-10(11(13)4-2)8-15-7-6-14-12(16)9-15/h3-5H,1,6-9,13H2,2H3,(H,14,16)/b10-5-,11-4+.
What are the key properties of 4-[(2Z)-2-[(E)-1-aminoprop-1-enyl]penta-2,4-dienyl]piperazin-2-one?
4-[(2Z)-2-[(E)-1-aminoprop-1-enyl]penta-2,4-dienyl]piperazin-2-one has a molecular weight of 221.30 g/mol, XLogP of 0.39, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2Z)-2-[(E)-1-aminoprop-1-enyl]penta-2,4-dienyl]piperazin-2-one is sourced from PubChem (CID 88905276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).