4-butyl-1-phenylpyrazolidine-3,5-dione;copper

C13H16CuN2O2 — CID 154984150

IUPAC4-butyl-1-phenylpyrazolidine-3,5-dione;copper
SMILESCCCCC1C(=O)NN(c2ccccc2)C1=O.[Cu]
InChIInChI=1S/C13H16N2O2.Cu/c1-2-3-9-11-12(16)14-15(13(11)17)10-7-5-4-6-8-10;/h4-8,11H,2-3,9H2,1H3,(H,14,16);
InChIKeyWRNVRHIKGBKJKX-UHFFFAOYSA-N
MW295.83 g/mol
LogP1.87
Rot. Bonds4

About 4-butyl-1-phenylpyrazolidine-3,5-dione;copper

4-butyl-1-phenylpyrazolidine-3,5-dione;copper (PubChem CID 154984150) has the molecular formula C13H16CuN2O2 and a molecular weight of 295.83 g/mol. Its IUPAC name is 4-butyl-1-phenylpyrazolidine-3,5-dione;copper.

Molecular Properties

Compound Name4-butyl-1-phenylpyrazolidine-3,5-dione;copper
PubChem CID154984150
Molecular FormulaC13H16CuN2O2
Molecular Weight295.83 g/mol
Exact Mass295.05
IUPAC Name4-butyl-1-phenylpyrazolidine-3,5-dione;copper
SMILESCCCCC1C(=O)NN(c2ccccc2)C1=O.[Cu]
InChIInChI=1S/C13H16N2O2.Cu/c1-2-3-9-11-12(16)14-15(13(11)17)10-7-5-4-6-8-10;/h4-8,11H,2-3,9H2,1H3,(H,14,16);
InChIKeyWRNVRHIKGBKJKX-UHFFFAOYSA-N
XLogP1.87
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.83
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'keto_keto_beta_B(12)', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

4-butyl-1-phenylpyrazolidine-3,5-dione;ethene
CID 70511969
4-butyl-1,2-diphenylpyrazolidine-3,5-dione;4-butyl-1-phenylpyrazolidine-3,5-dione
CID 175307489
(E)-but-2-enedioic acid;4-butyl-1-phenylpyrazolidine-3,5-dione
CID 20832422
4-butyl-1-phenylpyrazolidine-3,5-dione;pentanedioic acid
CID 68646218
4-butyl-1-phenylpyrazolidine-3,5-dione;(Z)-2,3-diethylbut-2-enedioic acid
CID 70186230
4-butyl-1-phenylpyrazolidine-3,5-dione;2,3-dihydroxybutanedioic acid
CID 23321611
4-butyl-1-(4-hydroxyphenyl)-2-phenylpyrazolidine-3,5-dione;4-butyl-1-phenylpyrazolidine-3,5-dione
CID 174806150
4-butyl-1-phenylpyrazolidine-3,5-dione;ethane-1,2-diol;ethene;ethoxyethane
CID 67646962
4-butyl-1-phenylpyrazolidine-3,5-dione;(Z)-2-hydroxybut-2-enedioic acid
CID 69043936
benzene-1,3-diol;4-butyl-1-phenylpyrazolidine-3,5-dione;ethoxyethane
CID 67592030
4-butyl-1-phenylpyrazolidine-3,5-dione;ethane-1,2-diol;ethoxyethane;pentakis(prop-1-ene)
CID 67772046
4-butyl-1-phenylpyrazolidine-3,5-dione;2-hydroxyethyl acetate;hydrate
CID 66639832

Frequently Asked Questions

What is the IUPAC name of 4-butyl-1-phenylpyrazolidine-3,5-dione;copper?
The IUPAC name of 4-butyl-1-phenylpyrazolidine-3,5-dione;copper (CID 154984150) is 4-butyl-1-phenylpyrazolidine-3,5-dione;copper.
What is the SMILES notation for 4-butyl-1-phenylpyrazolidine-3,5-dione;copper?
The canonical SMILES for 4-butyl-1-phenylpyrazolidine-3,5-dione;copper is CCCCC1C(=O)NN(c2ccccc2)C1=O.[Cu].
What is the InChIKey of 4-butyl-1-phenylpyrazolidine-3,5-dione;copper?
The InChIKey is WRNVRHIKGBKJKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O2.Cu/c1-2-3-9-11-12(16)14-15(13(11)17)10-7-5-4-6-8-10;/h4-8,11H,2-3,9H2,1H3,(H,14,16);.
What are the key properties of 4-butyl-1-phenylpyrazolidine-3,5-dione;copper?
4-butyl-1-phenylpyrazolidine-3,5-dione;copper has a molecular weight of 295.83 g/mol, XLogP of 1.87, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butyl-1-phenylpyrazolidine-3,5-dione;copper is sourced from PubChem (CID 154984150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).