(4-oxo-4-phenylbutanoyl)azanide;bis(yttrium);dihydrate

C10H14NO4Y2- — CID 176803320

IUPAC(4-oxo-4-phenylbutanoyl)azanide;bis(yttrium);dihydrate
SMILESO.O.[NH-]C(=O)CCC(=O)c1ccccc1.[Y].[Y]
InChIInChI=1S/C10H11NO2.2H2O.2Y/c11-10(13)7-6-9(12)8-4-2-1-3-5-8;;;;/h1-5H,6-7H2,(H2,11,13);2*1H2;;/p-1
InChIKeyYPIRVWHBAJJOTN-UHFFFAOYSA-M
MW390.04 g/mol
LogP0.57
Rot. Bonds4

About (4-oxo-4-phenylbutanoyl)azanide;bis(yttrium);dihydrate

(4-oxo-4-phenylbutanoyl)azanide;bis(yttrium);dihydrate (PubChem CID 176803320) has the molecular formula C10H14NO4Y2- and a molecular weight of 390.04 g/mol. Its IUPAC name is (4-oxo-4-phenylbutanoyl)azanide;bis(yttrium);dihydrate.

Molecular Properties

Compound Name(4-oxo-4-phenylbutanoyl)azanide;bis(yttrium);dihydrate
PubChem CID176803320
Molecular FormulaC10H14NO4Y2-
Molecular Weight390.04 g/mol
Exact Mass389.90
IUPAC Name(4-oxo-4-phenylbutanoyl)azanide;bis(yttrium);dihydrate
SMILESO.O.[NH-]C(=O)CCC(=O)c1ccccc1.[Y].[Y]
InChIInChI=1S/C10H11NO2.2H2O.2Y/c11-10(13)7-6-9(12)8-4-2-1-3-5-8;;;;/h1-5H,6-7H2,(H2,11,13);2*1H2;;/p-1
InChIKeyYPIRVWHBAJJOTN-UHFFFAOYSA-M
XLogP0.57
TPSA120.94 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.04
LogP ≤ 50.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-oxo-4-phenylbutanoyl chloride
CID 10932389
4-oxo-4-phenylbutanethioic S-acid
CID 54460780
1,15-diphenylpentadecane-1,15-dione
CID 159981687
1-phenylbutan-1-one
CID 10315
4-oxo-4-phenylbutanethioyl chloride
CID 20539697
1,8-diphenyloctane-1,4,8-trione
CID 140639847
1-phenylbutan-1-one;hydrobromide
CID 139638507
ethane;3-hydroxy-1-phenylpropan-1-one
CID 90864393
methyl-bis(3-oxo-3-phenylpropyl)azanium chloride
CID 11067528
1,3-diphenylpropane-1,3-dione;dihydrofluoride
CID 159485423
bis(1,3-diphenylpropane-1,3-dione);zinc
CID 67929938
3-[2-(3-oxo-3-phenylpropyl)sulfanylethylsulfanyl]-1-phenylpropan-1-one
CID 4144349

Frequently Asked Questions

What is the IUPAC name of (4-oxo-4-phenylbutanoyl)azanide;bis(yttrium);dihydrate?
The IUPAC name of (4-oxo-4-phenylbutanoyl)azanide;bis(yttrium);dihydrate (CID 176803320) is (4-oxo-4-phenylbutanoyl)azanide;bis(yttrium);dihydrate.
What is the SMILES notation for (4-oxo-4-phenylbutanoyl)azanide;bis(yttrium);dihydrate?
The canonical SMILES for (4-oxo-4-phenylbutanoyl)azanide;bis(yttrium);dihydrate is O.O.[NH-]C(=O)CCC(=O)c1ccccc1.[Y].[Y].
What is the InChIKey of (4-oxo-4-phenylbutanoyl)azanide;bis(yttrium);dihydrate?
The InChIKey is YPIRVWHBAJJOTN-UHFFFAOYSA-M. The full InChI is InChI=1S/C10H11NO2.2H2O.2Y/c11-10(13)7-6-9(12)8-4-2-1-3-5-8;;;;/h1-5H,6-7H2,(H2,11,13);2*1H2;;/p-1.
What are the key properties of (4-oxo-4-phenylbutanoyl)azanide;bis(yttrium);dihydrate?
(4-oxo-4-phenylbutanoyl)azanide;bis(yttrium);dihydrate has a molecular weight of 390.04 g/mol, XLogP of 0.57, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-oxo-4-phenylbutanoyl)azanide;bis(yttrium);dihydrate is sourced from PubChem (CID 176803320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).