2-(2-oxopropyl)-6H-chromen-6-id-4-one;yttrium

C12H9O3Y- — CID 59124827

IUPAC2-(2-oxopropyl)-6H-chromen-6-id-4-one;yttrium
SMILESCC(=O)Cc1cc(=O)c2c[c-]ccc2o1.[Y]
InChIInChI=1S/C12H9O3.Y/c1-8(13)6-9-7-11(14)10-4-2-3-5-12(10)15-9;/h3-5,7H,6H2,1H3;/q-1;
InChIKeyJIJZYIRAOZKANZ-UHFFFAOYSA-N
MW290.11 g/mol
LogP1.72
Rot. Bonds2

About 2-(2-oxopropyl)-6H-chromen-6-id-4-one;yttrium

2-(2-oxopropyl)-6H-chromen-6-id-4-one;yttrium (PubChem CID 59124827) has the molecular formula C12H9O3Y- and a molecular weight of 290.11 g/mol. Its IUPAC name is 2-(2-oxopropyl)-6H-chromen-6-id-4-one;yttrium.

Molecular Properties

Compound Name2-(2-oxopropyl)-6H-chromen-6-id-4-one;yttrium
PubChem CID59124827
Molecular FormulaC12H9O3Y-
Molecular Weight290.11 g/mol
Exact Mass289.96
IUPAC Name2-(2-oxopropyl)-6H-chromen-6-id-4-one;yttrium
SMILESCC(=O)Cc1cc(=O)c2c[c-]ccc2o1.[Y]
InChIInChI=1S/C12H9O3.Y/c1-8(13)6-9-7-11(14)10-4-2-3-5-12(10)15-9;/h3-5,7H,6H2,1H3;/q-1;
InChIKeyJIJZYIRAOZKANZ-UHFFFAOYSA-N
XLogP1.72
TPSA47.28 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.11
LogP ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(2-oxopropyl)-6H-chromen-6-id-4-one;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

Anhydrobarakol
CID 14429408
4H,5H-Pyrano(4,3-b)pyran-4,5-dione, 2,7-dimethyl-
CID 214454
2,4-dimethyl-7H-chromen-7-one
CID 765984
Benzopyran-5-one
CID 18782100
Chromene-2,5-dione
CID 19899665
Chromen-6(7 h)-one
CID 67662306
Xanthene-1,8(2h)-dione
CID 87091738
Dibenzopyrone
CID 87329071
Chromen-6-one
CID 129716310
Chromen-5(2h)-one
CID 138986898
2-Fluorochromen-5-one
CID 151918198
4-Methyl-7,8-dihydrocoumarin
CID 129772097

Frequently Asked Questions

What is the IUPAC name of 2-(2-oxopropyl)-6H-chromen-6-id-4-one;yttrium?
The IUPAC name of 2-(2-oxopropyl)-6H-chromen-6-id-4-one;yttrium (CID 59124827) is 2-(2-oxopropyl)-6H-chromen-6-id-4-one;yttrium.
What is the SMILES notation for 2-(2-oxopropyl)-6H-chromen-6-id-4-one;yttrium?
The canonical SMILES for 2-(2-oxopropyl)-6H-chromen-6-id-4-one;yttrium is CC(=O)Cc1cc(=O)c2c[c-]ccc2o1.[Y].
What is the InChIKey of 2-(2-oxopropyl)-6H-chromen-6-id-4-one;yttrium?
The InChIKey is JIJZYIRAOZKANZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9O3.Y/c1-8(13)6-9-7-11(14)10-4-2-3-5-12(10)15-9;/h3-5,7H,6H2,1H3;/q-1;.
What are the key properties of 2-(2-oxopropyl)-6H-chromen-6-id-4-one;yttrium?
2-(2-oxopropyl)-6H-chromen-6-id-4-one;yttrium has a molecular weight of 290.11 g/mol, XLogP of 1.72, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-oxopropyl)-6H-chromen-6-id-4-one;yttrium is sourced from PubChem (CID 59124827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).