1-piperazin-4-id-1-ylprop-2-en-1-one;yttrium

C7H11N2OY- — CID 59968902

IUPAC1-piperazin-4-id-1-ylprop-2-en-1-one;yttrium
SMILESC=CC(=O)N1CC[N-]CC1.[Y]
InChIInChI=1S/C7H11N2O.Y/c1-2-7(10)9-5-3-8-4-6-9;/h2H,1,3-6H2;/q-1;
InChIKeyPPNOHRYGSBLYQR-UHFFFAOYSA-N
MW228.08 g/mol
LogP0.39
Rot. Bonds1

About 1-piperazin-4-id-1-ylprop-2-en-1-one;yttrium

1-piperazin-4-id-1-ylprop-2-en-1-one;yttrium (PubChem CID 59968902) has the molecular formula C7H11N2OY- and a molecular weight of 228.08 g/mol. Its IUPAC name is 1-piperazin-4-id-1-ylprop-2-en-1-one;yttrium.

Molecular Properties

Compound Name1-piperazin-4-id-1-ylprop-2-en-1-one;yttrium
PubChem CID59968902
Molecular FormulaC7H11N2OY-
Molecular Weight228.08 g/mol
Exact Mass227.99
IUPAC Name1-piperazin-4-id-1-ylprop-2-en-1-one;yttrium
SMILESC=CC(=O)N1CC[N-]CC1.[Y]
InChIInChI=1S/C7H11N2O.Y/c1-2-7(10)9-5-3-8-4-6-9;/h2H,1,3-6H2;/q-1;
InChIKeyPPNOHRYGSBLYQR-UHFFFAOYSA-N
XLogP0.39
TPSA34.41 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.08
LogP ≤ 50.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1,4-Bis(acryloyl)piperazine
CID 193422
1-(4-Methylpiperazin-1-yl)prop-2-en-1-one
CID 13742939
1-(Piperazin-1-yl)prop-2-en-1-one
CID 11963076
Piperazine, 1-(1-oxo-2-propenyl)-4-propyl-(9CI)
CID 18793249
1-(4-Acetylpiperazin-1-yl)prop-2-en-1-one
CID 23034646
N,N-di(ethyl)prop-2-enamide;yttrium
CID 135023592
1-(3-Fluoro-4-methylpiperazin-1-yl)prop-2-en-1-one
CID 148344273
1-[(3S)-3,4-dimethylpiperazin-1-yl]prop-2-en-1-one
CID 155332143
1-[4-(2,2,2-Trifluoroethyl)piperazin-1-yl]prop-2-en-1-one
CID 43616583
1-[4-(2,2,2-Trifluoroacetyl)piperazin-1-yl]prop-2-en-1-one
CID 108932489
1-(4-Methylpiperazin-1-yl)but-2-en-1-one
CID 1533108
(E)-1-(4-methylpiperazin-1-yl)but-2-en-1-one
CID 1533109

Frequently Asked Questions

What is the IUPAC name of 1-piperazin-4-id-1-ylprop-2-en-1-one;yttrium?
The IUPAC name of 1-piperazin-4-id-1-ylprop-2-en-1-one;yttrium (CID 59968902) is 1-piperazin-4-id-1-ylprop-2-en-1-one;yttrium.
What is the SMILES notation for 1-piperazin-4-id-1-ylprop-2-en-1-one;yttrium?
The canonical SMILES for 1-piperazin-4-id-1-ylprop-2-en-1-one;yttrium is C=CC(=O)N1CC[N-]CC1.[Y].
What is the InChIKey of 1-piperazin-4-id-1-ylprop-2-en-1-one;yttrium?
The InChIKey is PPNOHRYGSBLYQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N2O.Y/c1-2-7(10)9-5-3-8-4-6-9;/h2H,1,3-6H2;/q-1;.
What are the key properties of 1-piperazin-4-id-1-ylprop-2-en-1-one;yttrium?
1-piperazin-4-id-1-ylprop-2-en-1-one;yttrium has a molecular weight of 228.08 g/mol, XLogP of 0.39, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-piperazin-4-id-1-ylprop-2-en-1-one;yttrium is sourced from PubChem (CID 59968902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).