3-(methylamino)-2H-naphthalen-2-ide-1,4-dione;yttrium

C11H8NO2Y- — CID 153492678

IUPAC3-(methylamino)-2H-naphthalen-2-ide-1,4-dione;yttrium
SMILESCNC1=[C-]C(=O)c2ccccc2C1=O.[Y]
InChIInChI=1S/C11H8NO2.Y/c1-12-9-6-10(13)7-4-2-3-5-8(7)11(9)14;/h2-5,12H,1H3;/q-1;
InChIKeyKWIAHHXNOKLBOT-UHFFFAOYSA-N
MW275.10 g/mol
LogP0.97
Rot. Bonds1

About 3-(methylamino)-2H-naphthalen-2-ide-1,4-dione;yttrium

3-(methylamino)-2H-naphthalen-2-ide-1,4-dione;yttrium (PubChem CID 153492678) has the molecular formula C11H8NO2Y- and a molecular weight of 275.10 g/mol. Its IUPAC name is 3-(methylamino)-2H-naphthalen-2-ide-1,4-dione;yttrium.

Molecular Properties

Compound Name3-(methylamino)-2H-naphthalen-2-ide-1,4-dione;yttrium
PubChem CID153492678
Molecular FormulaC11H8NO2Y-
Molecular Weight275.10 g/mol
Exact Mass274.96
IUPAC Name3-(methylamino)-2H-naphthalen-2-ide-1,4-dione;yttrium
SMILESCNC1=[C-]C(=O)c2ccccc2C1=O.[Y]
InChIInChI=1S/C11H8NO2.Y/c1-12-9-6-10(13)7-4-2-3-5-8(7)11(9)14;/h2-5,12H,1H3;/q-1;
InChIKeyKWIAHHXNOKLBOT-UHFFFAOYSA-N
XLogP0.97
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.10
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Analyze 3-(methylamino)-2H-naphthalen-2-ide-1,4-dione;yttrium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-tert-butyl-2H-naphthalen-2-ide-1,4-dione;rhenium
CID 59117699
anthracene-9,10-dione;carbanide;ethane;yttrium
CID 165067148
anthracene-9,10-dione;platinum(2+);dichloride
CID 174702138
phenanthrene-9,10-dione
CID 6763
anthracene-9,10-dione;hydrofluoride
CID 172728823
CID 67824005
CID 67824005
lithium;anthracene-9,10-dione;hydride
CID 174683199
CID 66807709
CID 66807709
anthracene-9,10-dione;propane
CID 162068050
anthracene-9,10-dione;hydrate;hydrochloride
CID 177309925
CID 118898551
CID 118898551
ethane;bis(fluoren-9-one);methanol
CID 162250310

Frequently Asked Questions

What is the IUPAC name of 3-(methylamino)-2H-naphthalen-2-ide-1,4-dione;yttrium?
The IUPAC name of 3-(methylamino)-2H-naphthalen-2-ide-1,4-dione;yttrium (CID 153492678) is 3-(methylamino)-2H-naphthalen-2-ide-1,4-dione;yttrium.
What is the SMILES notation for 3-(methylamino)-2H-naphthalen-2-ide-1,4-dione;yttrium?
The canonical SMILES for 3-(methylamino)-2H-naphthalen-2-ide-1,4-dione;yttrium is CNC1=[C-]C(=O)c2ccccc2C1=O.[Y].
What is the InChIKey of 3-(methylamino)-2H-naphthalen-2-ide-1,4-dione;yttrium?
The InChIKey is KWIAHHXNOKLBOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8NO2.Y/c1-12-9-6-10(13)7-4-2-3-5-8(7)11(9)14;/h2-5,12H,1H3;/q-1;.
What are the key properties of 3-(methylamino)-2H-naphthalen-2-ide-1,4-dione;yttrium?
3-(methylamino)-2H-naphthalen-2-ide-1,4-dione;yttrium has a molecular weight of 275.10 g/mol, XLogP of 0.97, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methylamino)-2H-naphthalen-2-ide-1,4-dione;yttrium is sourced from PubChem (CID 153492678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).