1-phenyl-4-propan-2-ylidenepyrazolidine-3,5-dione

C12H12N2O2 — CID 738747

IUPAC1-phenyl-4-propan-2-ylidenepyrazolidine-3,5-dione
SMILESCC(C)=C1C(=O)NN(c2ccccc2)C1=O
InChIInChI=1S/C12H12N2O2/c1-8(2)10-11(15)13-14(12(10)16)9-6-4-3-5-7-9/h3-7H,1-2H3,(H,13,15)
InChIKeyIABIGQQVLSFCDO-UHFFFAOYSA-N
MW216.24 g/mol
LogP1.40
Rot. Bonds1

About 1-phenyl-4-propan-2-ylidenepyrazolidine-3,5-dione

1-phenyl-4-propan-2-ylidenepyrazolidine-3,5-dione (PubChem CID 738747) has the molecular formula C12H12N2O2 and a molecular weight of 216.24 g/mol. Its IUPAC name is 1-phenyl-4-propan-2-ylidenepyrazolidine-3,5-dione.

Molecular Properties

Compound Name1-phenyl-4-propan-2-ylidenepyrazolidine-3,5-dione
PubChem CID738747
Molecular FormulaC12H12N2O2
Molecular Weight216.24 g/mol
Exact Mass216.09
IUPAC Name1-phenyl-4-propan-2-ylidenepyrazolidine-3,5-dione
SMILESCC(C)=C1C(=O)NN(c2ccccc2)C1=O
InChIInChI=1S/C12H12N2O2/c1-8(2)10-11(15)13-14(12(10)16)9-6-4-3-5-7-9/h3-7H,1-2H3,(H,13,15)
InChIKeyIABIGQQVLSFCDO-UHFFFAOYSA-N
XLogP1.40
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.24
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_five_het_D(46)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_4', 'substructure': 'N/A'}

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Related Compounds

Mofebutazone
CID 16639
Phenidone
CID 7090
Feprazone
CID 35455
4-Methyl-1-phenylpyrazolidin-3-one
CID 98282
1H-Pyrazol-5-ol, 3-methyl-1-phenyl-
CID 70335
Dimezone
CID 75861
2,3-Dihydro-1,5-dimethyl-3-oxo-2-phenyl-1H-pyrazole-4-carbaldehyde
CID 70371
4,4-Diethyl-1-phenyl-3,5-pyrazolidinedione
CID 3031300
6-hydroxy-2-phenylpyridazin-3(2H)-one
CID 74333
1,2-Diphenyl-3,5-pyrazolidinedione
CID 17561
1,2-Dihydro-1,4,5-trimethyl-2-phenyl-3H-pyrazol-3-one
CID 201234
4-Benzylidene-1-(4-iodophenyl)-3,5-pyrazolidinedione
CID 1049055

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-4-propan-2-ylidenepyrazolidine-3,5-dione?
The IUPAC name of 1-phenyl-4-propan-2-ylidenepyrazolidine-3,5-dione (CID 738747) is 1-phenyl-4-propan-2-ylidenepyrazolidine-3,5-dione.
What is the SMILES notation for 1-phenyl-4-propan-2-ylidenepyrazolidine-3,5-dione?
The canonical SMILES for 1-phenyl-4-propan-2-ylidenepyrazolidine-3,5-dione is CC(C)=C1C(=O)NN(c2ccccc2)C1=O.
What is the InChIKey of 1-phenyl-4-propan-2-ylidenepyrazolidine-3,5-dione?
The InChIKey is IABIGQQVLSFCDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O2/c1-8(2)10-11(15)13-14(12(10)16)9-6-4-3-5-7-9/h3-7H,1-2H3,(H,13,15).
What are the key properties of 1-phenyl-4-propan-2-ylidenepyrazolidine-3,5-dione?
1-phenyl-4-propan-2-ylidenepyrazolidine-3,5-dione has a molecular weight of 216.24 g/mol, XLogP of 1.40, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-4-propan-2-ylidenepyrazolidine-3,5-dione is sourced from PubChem (CID 738747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).