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

C10H10N2O3 — CID 71563531

IUPAC1-(3-methoxyphenyl)pyrazolidine-3,5-dione
SMILESCOc1cccc(N2NC(=O)CC2=O)c1
InChIInChI=1S/C10H10N2O3/c1-15-8-4-2-3-7(5-8)12-10(14)6-9(13)11-12/h2-5H,6H2,1H3,(H,11,13)
InChIKeyGIWGDOKQVCNTSX-UHFFFAOYSA-N
MW206.20 g/mol
LogP0.46
Rot. Bonds2

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

1-(3-methoxyphenyl)pyrazolidine-3,5-dione (PubChem CID 71563531) has the molecular formula C10H10N2O3 and a molecular weight of 206.20 g/mol. Its IUPAC name is 1-(3-methoxyphenyl)pyrazolidine-3,5-dione.

Molecular Properties

Compound Name1-(3-methoxyphenyl)pyrazolidine-3,5-dione
PubChem CID71563531
Molecular FormulaC10H10N2O3
Molecular Weight206.20 g/mol
Exact Mass206.07
IUPAC Name1-(3-methoxyphenyl)pyrazolidine-3,5-dione
SMILESCOc1cccc(N2NC(=O)CC2=O)c1
InChIInChI=1S/C10H10N2O3/c1-15-8-4-2-3-7(5-8)12-10(14)6-9(13)11-12/h2-5H,6H2,1H3,(H,11,13)
InChIKeyGIWGDOKQVCNTSX-UHFFFAOYSA-N
XLogP0.46
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.20
LogP ≤ 50.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-(3-methoxyphenyl)piperazine-2,6-dione
CID 63788375
1-(3-methoxyphenyl)-3-methylidenepyrrolidine-2,5-dione
CID 14449114
1-(3-methoxyphenyl)azepane
CID 57276431
1-(3-methoxyphenyl)-4-methylpyrrolidin-2-one
CID 169218000
6-amino-1-(3-methoxyphenyl)-1,3-diazinane-2,4-dione
CID 78442416
1-(3-methoxyphenyl)pyridin-4-one
CID 86100298
1-(3-methoxyphenyl)pyrimidine-2,4-dione
CID 121216485
4-ethynyl-1-(3-methoxyphenyl)pyrrolidin-2-one
CID 168500928
1-[2-(3-methoxyphenoxy)ethyl]pyrrolidin-2-one
CID 94686427
2-(3-methoxyphenyl)-5-methyl-1H-pyrazol-3-one
CID 54414073
1-[2-(3-methoxyphenyl)-2-oxoethyl]azepan-2-one
CID 62025171
1-(2-methoxyethyl)-3-(3-methoxyphenyl)imidazolidine-2,4-dione
CID 79280992

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxyphenyl)pyrazolidine-3,5-dione?
The IUPAC name of 1-(3-methoxyphenyl)pyrazolidine-3,5-dione (CID 71563531) is 1-(3-methoxyphenyl)pyrazolidine-3,5-dione.
What is the SMILES notation for 1-(3-methoxyphenyl)pyrazolidine-3,5-dione?
The canonical SMILES for 1-(3-methoxyphenyl)pyrazolidine-3,5-dione is COc1cccc(N2NC(=O)CC2=O)c1.
What is the InChIKey of 1-(3-methoxyphenyl)pyrazolidine-3,5-dione?
The InChIKey is GIWGDOKQVCNTSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O3/c1-15-8-4-2-3-7(5-8)12-10(14)6-9(13)11-12/h2-5H,6H2,1H3,(H,11,13).
What are the key properties of 1-(3-methoxyphenyl)pyrazolidine-3,5-dione?
1-(3-methoxyphenyl)pyrazolidine-3,5-dione has a molecular weight of 206.20 g/mol, XLogP of 0.46, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxyphenyl)pyrazolidine-3,5-dione is sourced from PubChem (CID 71563531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).