4-oxo-6H-chromen-6-ide-3-carbaldehyde;yttrium

C10H5O3Y- — CID 135021600

IUPAC4-oxo-6H-chromen-6-ide-3-carbaldehyde;yttrium
SMILESO=Cc1coc2cc[c-]cc2c1=O.[Y]
InChIInChI=1S/C10H5O3.Y/c11-5-7-6-13-9-4-2-1-3-8(9)10(7)12;/h2-6H;/q-1;
InChIKeyINUAYWZQWVZZFB-UHFFFAOYSA-N
MW262.05 g/mol
LogP1.40
Rot. Bonds1

About 4-oxo-6H-chromen-6-ide-3-carbaldehyde;yttrium

4-oxo-6H-chromen-6-ide-3-carbaldehyde;yttrium (PubChem CID 135021600) has the molecular formula C10H5O3Y- and a molecular weight of 262.05 g/mol. Its IUPAC name is 4-oxo-6H-chromen-6-ide-3-carbaldehyde;yttrium.

Molecular Properties

Compound Name4-oxo-6H-chromen-6-ide-3-carbaldehyde;yttrium
PubChem CID135021600
Molecular FormulaC10H5O3Y-
Molecular Weight262.05 g/mol
Exact Mass261.93
IUPAC Name4-oxo-6H-chromen-6-ide-3-carbaldehyde;yttrium
SMILESO=Cc1coc2cc[c-]cc2c1=O.[Y]
InChIInChI=1S/C10H5O3.Y/c11-5-7-6-13-9-4-2-1-3-8(9)10(7)12;/h2-6H;/q-1;
InChIKeyINUAYWZQWVZZFB-UHFFFAOYSA-N
XLogP1.40
TPSA47.28 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.05
LogP ≤ 51.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-oxo-6H-chromen-6-ide-3-carbaldehyde;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

4h-Chromen-5(6h)-one
CID 157602217
4h-Chromen-4,5(6h)-dione
CID 129768379
2,5-Dihydrochromen-6-one
CID 67746451
2,5-Dihydropyrano[2,3-f]chromene-6-carbaldehyde
CID 88387916
2H-chromene-5,6-dione
CID 118589897
4-Oxo-6,7-dihydrochromene-3-carbaldehyde
CID 130360501
bis(2H-pyran-4-yl)methanone
CID 141279156
7,8-Dimethyl-4-oxocyclohepta[b]pyran-3-carbaldehyde
CID 142848386
4-Oxo-5,6-dihydrochromene-3-carbaldehyde
CID 143142975
9,10a-Dihydrobenzo[g]chromen-8-one
CID 161565012
3-Methoxycyclohexa-1,3-diene-1-carbaldehyde
CID 173685141
7H-chromene-8-carbaldehyde
CID 174561292

Frequently Asked Questions

What is the IUPAC name of 4-oxo-6H-chromen-6-ide-3-carbaldehyde;yttrium?
The IUPAC name of 4-oxo-6H-chromen-6-ide-3-carbaldehyde;yttrium (CID 135021600) is 4-oxo-6H-chromen-6-ide-3-carbaldehyde;yttrium.
What is the SMILES notation for 4-oxo-6H-chromen-6-ide-3-carbaldehyde;yttrium?
The canonical SMILES for 4-oxo-6H-chromen-6-ide-3-carbaldehyde;yttrium is O=Cc1coc2cc[c-]cc2c1=O.[Y].
What is the InChIKey of 4-oxo-6H-chromen-6-ide-3-carbaldehyde;yttrium?
The InChIKey is INUAYWZQWVZZFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5O3.Y/c11-5-7-6-13-9-4-2-1-3-8(9)10(7)12;/h2-6H;/q-1;.
What are the key properties of 4-oxo-6H-chromen-6-ide-3-carbaldehyde;yttrium?
4-oxo-6H-chromen-6-ide-3-carbaldehyde;yttrium has a molecular weight of 262.05 g/mol, XLogP of 1.40, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxo-6H-chromen-6-ide-3-carbaldehyde;yttrium is sourced from PubChem (CID 135021600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).