1-(2,3-diphenyl-1H-inden-1-yl)-5,5-dimethylpyrazolidin-3-one

C26H24N2O — CID 102490756

IUPAC1-(2,3-diphenyl-1H-inden-1-yl)-5,5-dimethylpyrazolidin-3-one
SMILESCC1(C)CC(=O)NN1C1C(c2ccccc2)=C(c2ccccc2)c2ccccc21
InChIInChI=1S/C26H24N2O/c1-26(2)17-22(29)27-28(26)25-21-16-10-9-15-20(21)23(18-11-5-3-6-12-18)24(25)19-13-7-4-8-14-19/h3-16,25H,17H2,1-2H3,(H,27,29)
InChIKeyPCMQJBCXUZAWES-UHFFFAOYSA-N
MW380.49 g/mol
LogP5.22
Rot. Bonds3

About 1-(2,3-diphenyl-1H-inden-1-yl)-5,5-dimethylpyrazolidin-3-one

1-(2,3-diphenyl-1H-inden-1-yl)-5,5-dimethylpyrazolidin-3-one (PubChem CID 102490756) has the molecular formula C26H24N2O and a molecular weight of 380.49 g/mol. Its IUPAC name is 1-(2,3-diphenyl-1H-inden-1-yl)-5,5-dimethylpyrazolidin-3-one.

Molecular Properties

Compound Name1-(2,3-diphenyl-1H-inden-1-yl)-5,5-dimethylpyrazolidin-3-one
PubChem CID102490756
Molecular FormulaC26H24N2O
Molecular Weight380.49 g/mol
Exact Mass380.19
IUPAC Name1-(2,3-diphenyl-1H-inden-1-yl)-5,5-dimethylpyrazolidin-3-one
SMILESCC1(C)CC(=O)NN1C1C(c2ccccc2)=C(c2ccccc2)c2ccccc21
InChIInChI=1S/C26H24N2O/c1-26(2)17-22(29)27-28(26)25-21-16-10-9-15-20(21)23(18-11-5-3-6-12-18)24(25)19-13-7-4-8-14-19/h3-16,25H,17H2,1-2H3,(H,27,29)
InChIKeyPCMQJBCXUZAWES-UHFFFAOYSA-N
XLogP5.22
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.49
LogP ≤ 55.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'stilbene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(2,3-diphenyl-1H-inden-1-yl)-5,5-dimethylpyrazolidin-3-one?
The IUPAC name of 1-(2,3-diphenyl-1H-inden-1-yl)-5,5-dimethylpyrazolidin-3-one (CID 102490756) is 1-(2,3-diphenyl-1H-inden-1-yl)-5,5-dimethylpyrazolidin-3-one.
What is the SMILES notation for 1-(2,3-diphenyl-1H-inden-1-yl)-5,5-dimethylpyrazolidin-3-one?
The canonical SMILES for 1-(2,3-diphenyl-1H-inden-1-yl)-5,5-dimethylpyrazolidin-3-one is CC1(C)CC(=O)NN1C1C(c2ccccc2)=C(c2ccccc2)c2ccccc21.
What is the InChIKey of 1-(2,3-diphenyl-1H-inden-1-yl)-5,5-dimethylpyrazolidin-3-one?
The InChIKey is PCMQJBCXUZAWES-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N2O/c1-26(2)17-22(29)27-28(26)25-21-16-10-9-15-20(21)23(18-11-5-3-6-12-18)24(25)19-13-7-4-8-14-19/h3-16,25H,17H2,1-2H3,(H,27,29).
What are the key properties of 1-(2,3-diphenyl-1H-inden-1-yl)-5,5-dimethylpyrazolidin-3-one?
1-(2,3-diphenyl-1H-inden-1-yl)-5,5-dimethylpyrazolidin-3-one has a molecular weight of 380.49 g/mol, XLogP of 5.22, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-diphenyl-1H-inden-1-yl)-5,5-dimethylpyrazolidin-3-one is sourced from PubChem (CID 102490756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).