sodium;1-phenylpyrazolidin-3-one;bromide

C9H10BrN2NaO — CID 157299139

IUPACsodium;1-phenylpyrazolidin-3-one;bromide
SMILESO=C1CCN(c2ccccc2)N1.[Br-].[Na+]
InChIInChI=1S/C9H10N2O.BrH.Na/c12-9-6-7-11(10-9)8-4-2-1-3-5-8;;/h1-5H,6-7H2,(H,10,12);1H;/q;;+1/p-1
InChIKeyBBROPJCKFRLLOS-UHFFFAOYSA-M
MW265.09 g/mol
LogP-5.06
Rot. Bonds1

About sodium;1-phenylpyrazolidin-3-one;bromide

sodium;1-phenylpyrazolidin-3-one;bromide (PubChem CID 157299139) has the molecular formula C9H10BrN2NaO and a molecular weight of 265.09 g/mol. Its IUPAC name is sodium;1-phenylpyrazolidin-3-one;bromide.

Molecular Properties

Compound Namesodium;1-phenylpyrazolidin-3-one;bromide
PubChem CID157299139
Molecular FormulaC9H10BrN2NaO
Molecular Weight265.09 g/mol
Exact Mass263.99
IUPAC Namesodium;1-phenylpyrazolidin-3-one;bromide
SMILESO=C1CCN(c2ccccc2)N1.[Br-].[Na+]
InChIInChI=1S/C9H10N2O.BrH.Na/c12-9-6-7-11(10-9)8-4-2-1-3-5-8;;/h1-5H,6-7H2,(H,10,12);1H;/q;;+1/p-1
InChIKeyBBROPJCKFRLLOS-UHFFFAOYSA-M
XLogP-5.06
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.09
LogP ≤ 5-5.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of sodium;1-phenylpyrazolidin-3-one;bromide?
The IUPAC name of sodium;1-phenylpyrazolidin-3-one;bromide (CID 157299139) is sodium;1-phenylpyrazolidin-3-one;bromide.
What is the SMILES notation for sodium;1-phenylpyrazolidin-3-one;bromide?
The canonical SMILES for sodium;1-phenylpyrazolidin-3-one;bromide is O=C1CCN(c2ccccc2)N1.[Br-].[Na+].
What is the InChIKey of sodium;1-phenylpyrazolidin-3-one;bromide?
The InChIKey is BBROPJCKFRLLOS-UHFFFAOYSA-M. The full InChI is InChI=1S/C9H10N2O.BrH.Na/c12-9-6-7-11(10-9)8-4-2-1-3-5-8;;/h1-5H,6-7H2,(H,10,12);1H;/q;;+1/p-1.
What are the key properties of sodium;1-phenylpyrazolidin-3-one;bromide?
sodium;1-phenylpyrazolidin-3-one;bromide has a molecular weight of 265.09 g/mol, XLogP of -5.06, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;1-phenylpyrazolidin-3-one;bromide is sourced from PubChem (CID 157299139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).