bis(1-(4-aminophenyl)ethanone);yttrium

C16H16N2O2Y-2 — CID 58212341

IUPACbis(1-(4-aminophenyl)ethanone);yttrium
SMILES[CH2-]C(=O)c1ccc(N)cc1.[CH2-]C(=O)c1ccc(N)cc1.[Y]
InChIInChI=1S/2C8H8NO.Y/c2*1-6(10)7-2-4-8(9)5-3-7;/h2*2-5H,1,9H2;/q2*-1;
InChIKeyFHAVBPYJSJFRMK-UHFFFAOYSA-N
MW357.22 g/mol
LogP2.57
Rot. Bonds2

About bis(1-(4-aminophenyl)ethanone);yttrium

bis(1-(4-aminophenyl)ethanone);yttrium (PubChem CID 58212341) has the molecular formula C16H16N2O2Y-2 and a molecular weight of 357.22 g/mol. Its IUPAC name is bis(1-(4-aminophenyl)ethanone);yttrium.

Molecular Properties

Compound Namebis(1-(4-aminophenyl)ethanone);yttrium
PubChem CID58212341
Molecular FormulaC16H16N2O2Y-2
Molecular Weight357.22 g/mol
Exact Mass357.03
IUPAC Namebis(1-(4-aminophenyl)ethanone);yttrium
SMILES[CH2-]C(=O)c1ccc(N)cc1.[CH2-]C(=O)c1ccc(N)cc1.[Y]
InChIInChI=1S/2C8H8NO.Y/c2*1-6(10)7-2-4-8(9)5-3-7;/h2*2-5H,1,9H2;/q2*-1;
InChIKeyFHAVBPYJSJFRMK-UHFFFAOYSA-N
XLogP2.57
TPSA86.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.22
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Related Compounds

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CID 18539755
4-aminobenzoic acid;hydrofluoride
CID 159690577
[4-[4-(4-aminobenzoyl)phenyl]phenyl]-(4-aminophenyl)methanone
CID 14344374
heptakis(4-aminobenzoate);manganese
CID 101030419
4-aminobenzamide;methanol
CID 144801245
bis(4-aminobenzoic acid);ethene
CID 158776608
[(4-aminobenzoyl)amino]carbamic acid
CID 175797538
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CID 3289295
1-(4-aminophenyl)-2-hydroxyethanone
CID 19755805
(4-aminophenyl)-phenylmethanone
CID 14346
4-amino-N'-(4-chlorobenzoyl)benzohydrazide
CID 785216
1-(4-aminophenyl)propan-1-one
CID 6270

Frequently Asked Questions

What is the IUPAC name of bis(1-(4-aminophenyl)ethanone);yttrium?
The IUPAC name of bis(1-(4-aminophenyl)ethanone);yttrium (CID 58212341) is bis(1-(4-aminophenyl)ethanone);yttrium.
What is the SMILES notation for bis(1-(4-aminophenyl)ethanone);yttrium?
The canonical SMILES for bis(1-(4-aminophenyl)ethanone);yttrium is [CH2-]C(=O)c1ccc(N)cc1.[CH2-]C(=O)c1ccc(N)cc1.[Y].
What is the InChIKey of bis(1-(4-aminophenyl)ethanone);yttrium?
The InChIKey is FHAVBPYJSJFRMK-UHFFFAOYSA-N. The full InChI is InChI=1S/2C8H8NO.Y/c2*1-6(10)7-2-4-8(9)5-3-7;/h2*2-5H,1,9H2;/q2*-1;.
What are the key properties of bis(1-(4-aminophenyl)ethanone);yttrium?
bis(1-(4-aminophenyl)ethanone);yttrium has a molecular weight of 357.22 g/mol, XLogP of 2.57, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bis(1-(4-aminophenyl)ethanone);yttrium is sourced from PubChem (CID 58212341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).