1-(3-chlorophenyl)pyrazolidine-3,5-dione

C9H7ClN2O2 — CID 871702

IUPAC1-(3-chlorophenyl)pyrazolidine-3,5-dione
SMILESO=C1CC(=O)N(c2cccc(Cl)c2)N1
InChIInChI=1S/C9H7ClN2O2/c10-6-2-1-3-7(4-6)12-9(14)5-8(13)11-12/h1-4H,5H2,(H,11,13)
InChIKeyAPADQNGCMHCBLF-UHFFFAOYSA-N
MW210.62 g/mol
LogP1.11
Rot. Bonds1

About 1-(3-chlorophenyl)pyrazolidine-3,5-dione

1-(3-chlorophenyl)pyrazolidine-3,5-dione (PubChem CID 871702) has the molecular formula C9H7ClN2O2 and a molecular weight of 210.62 g/mol. Its IUPAC name is 1-(3-chlorophenyl)pyrazolidine-3,5-dione.

Molecular Properties

Compound Name1-(3-chlorophenyl)pyrazolidine-3,5-dione
PubChem CID871702
Molecular FormulaC9H7ClN2O2
Molecular Weight210.62 g/mol
Exact Mass210.02
IUPAC Name1-(3-chlorophenyl)pyrazolidine-3,5-dione
SMILESO=C1CC(=O)N(c2cccc(Cl)c2)N1
InChIInChI=1S/C9H7ClN2O2/c10-6-2-1-3-7(4-6)12-9(14)5-8(13)11-12/h1-4H,5H2,(H,11,13)
InChIKeyAPADQNGCMHCBLF-UHFFFAOYSA-N
XLogP1.11
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.62
LogP ≤ 51.11
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 1-(3-chlorophenyl)pyrazolidine-3,5-dione?
The IUPAC name of 1-(3-chlorophenyl)pyrazolidine-3,5-dione (CID 871702) is 1-(3-chlorophenyl)pyrazolidine-3,5-dione.
What is the SMILES notation for 1-(3-chlorophenyl)pyrazolidine-3,5-dione?
The canonical SMILES for 1-(3-chlorophenyl)pyrazolidine-3,5-dione is O=C1CC(=O)N(c2cccc(Cl)c2)N1.
What is the InChIKey of 1-(3-chlorophenyl)pyrazolidine-3,5-dione?
The InChIKey is APADQNGCMHCBLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7ClN2O2/c10-6-2-1-3-7(4-6)12-9(14)5-8(13)11-12/h1-4H,5H2,(H,11,13).
What are the key properties of 1-(3-chlorophenyl)pyrazolidine-3,5-dione?
1-(3-chlorophenyl)pyrazolidine-3,5-dione has a molecular weight of 210.62 g/mol, XLogP of 1.11, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)pyrazolidine-3,5-dione is sourced from PubChem (CID 871702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).