4-cyclohexyl-1-phenylpyrazolidine-3,5-dione

C15H18N2O2 — CID 3041629

IUPAC4-cyclohexyl-1-phenylpyrazolidine-3,5-dione
SMILESO=C1NN(c2ccccc2)C(=O)C1C1CCCCC1
InChIInChI=1S/C15H18N2O2/c18-14-13(11-7-3-1-4-8-11)15(19)17(16-14)12-9-5-2-6-10-12/h2,5-6,9-11,13H,1,3-4,7-8H2,(H,16,18)
InChIKeyOAZDLPWPRZZHFU-UHFFFAOYSA-N
MW258.32 g/mol
LogP2.26
Rot. Bonds2

About 4-cyclohexyl-1-phenylpyrazolidine-3,5-dione

4-cyclohexyl-1-phenylpyrazolidine-3,5-dione (PubChem CID 3041629) has the molecular formula C15H18N2O2 and a molecular weight of 258.32 g/mol. Its IUPAC name is 4-cyclohexyl-1-phenylpyrazolidine-3,5-dione.

Molecular Properties

Compound Name4-cyclohexyl-1-phenylpyrazolidine-3,5-dione
PubChem CID3041629
Molecular FormulaC15H18N2O2
Molecular Weight258.32 g/mol
Exact Mass258.14
IUPAC Name4-cyclohexyl-1-phenylpyrazolidine-3,5-dione
SMILESO=C1NN(c2ccccc2)C(=O)C1C1CCCCC1
InChIInChI=1S/C15H18N2O2/c18-14-13(11-7-3-1-4-8-11)15(19)17(16-14)12-9-5-2-6-10-12/h2,5-6,9-11,13H,1,3-4,7-8H2,(H,16,18)
InChIKeyOAZDLPWPRZZHFU-UHFFFAOYSA-N
XLogP2.26
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 52.26
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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Frequently Asked Questions

What is the IUPAC name of 4-cyclohexyl-1-phenylpyrazolidine-3,5-dione?
The IUPAC name of 4-cyclohexyl-1-phenylpyrazolidine-3,5-dione (CID 3041629) is 4-cyclohexyl-1-phenylpyrazolidine-3,5-dione.
What is the SMILES notation for 4-cyclohexyl-1-phenylpyrazolidine-3,5-dione?
The canonical SMILES for 4-cyclohexyl-1-phenylpyrazolidine-3,5-dione is O=C1NN(c2ccccc2)C(=O)C1C1CCCCC1.
What is the InChIKey of 4-cyclohexyl-1-phenylpyrazolidine-3,5-dione?
The InChIKey is OAZDLPWPRZZHFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2/c18-14-13(11-7-3-1-4-8-11)15(19)17(16-14)12-9-5-2-6-10-12/h2,5-6,9-11,13H,1,3-4,7-8H2,(H,16,18).
What are the key properties of 4-cyclohexyl-1-phenylpyrazolidine-3,5-dione?
4-cyclohexyl-1-phenylpyrazolidine-3,5-dione has a molecular weight of 258.32 g/mol, XLogP of 2.26, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclohexyl-1-phenylpyrazolidine-3,5-dione is sourced from PubChem (CID 3041629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).