1,7-dihydroquinoxalin-7-id-2-one;yttrium

C8H5N2OY- — CID 58916328

IUPAC1,7-dihydroquinoxalin-7-id-2-one;yttrium
SMILESO=c1cnc2cc[c-]cc2[nH]1.[Y]
InChIInChI=1S/C8H5N2O.Y/c11-8-5-9-6-3-1-2-4-7(6)10-8;/h1,3-5H,(H,10,11);/q-1;
InChIKeySOZUHZVCVIEQGZ-UHFFFAOYSA-N
MW234.05 g/mol
LogP0.72
Rot. Bonds

About 1,7-dihydroquinoxalin-7-id-2-one;yttrium

1,7-dihydroquinoxalin-7-id-2-one;yttrium (PubChem CID 58916328) has the molecular formula C8H5N2OY- and a molecular weight of 234.05 g/mol. Its IUPAC name is 1,7-dihydroquinoxalin-7-id-2-one;yttrium.

Molecular Properties

Compound Name1,7-dihydroquinoxalin-7-id-2-one;yttrium
PubChem CID58916328
Molecular FormulaC8H5N2OY-
Molecular Weight234.05 g/mol
Exact Mass233.95
IUPAC Name1,7-dihydroquinoxalin-7-id-2-one;yttrium
SMILESO=c1cnc2cc[c-]cc2[nH]1.[Y]
InChIInChI=1S/C8H5N2O.Y/c11-8-5-9-6-3-1-2-4-7(6)10-8;/h1,3-5H,(H,10,11);/q-1;
InChIKeySOZUHZVCVIEQGZ-UHFFFAOYSA-N
XLogP0.72
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.05
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4H-pyrido[3,4-b]pyrazin-3-one
CID 28812113
1H-quinoxalin-2-one;dihydrochloride
CID 141445979
7-methyl-1H-quinoxalin-2-one
CID 583114
6-oxo-5H-1,5-naphthyridine-3-carbonitrile
CID 68864381
6,7-difluoro-1H-quinoxalin-2-one
CID 6324339
7-chloro-3-oxo-4H-quinoxaline-6-sulfonamide
CID 141007133
6-chloro-7-iodo-1H-quinoxalin-2-one
CID 167236785
butane;7-methoxy-1H-quinoxalin-2-one
CID 143376014
butyl 3-oxo-4H-quinoxaline-6-carboxylate
CID 130220799
7-amino-6-(4-methylpiperazin-1-yl)-1H-quinoxalin-2-one
CID 53465393
6-oxo-5H-1,5-naphthyridine-3-carboxylic acid
CID 83679759
7-chloro-6-(2,4-difluorophenyl)-1H-quinoxalin-2-one
CID 175937083

Frequently Asked Questions

What is the IUPAC name of 1,7-dihydroquinoxalin-7-id-2-one;yttrium?
The IUPAC name of 1,7-dihydroquinoxalin-7-id-2-one;yttrium (CID 58916328) is 1,7-dihydroquinoxalin-7-id-2-one;yttrium.
What is the SMILES notation for 1,7-dihydroquinoxalin-7-id-2-one;yttrium?
The canonical SMILES for 1,7-dihydroquinoxalin-7-id-2-one;yttrium is O=c1cnc2cc[c-]cc2[nH]1.[Y].
What is the InChIKey of 1,7-dihydroquinoxalin-7-id-2-one;yttrium?
The InChIKey is SOZUHZVCVIEQGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5N2O.Y/c11-8-5-9-6-3-1-2-4-7(6)10-8;/h1,3-5H,(H,10,11);/q-1;.
What are the key properties of 1,7-dihydroquinoxalin-7-id-2-one;yttrium?
1,7-dihydroquinoxalin-7-id-2-one;yttrium has a molecular weight of 234.05 g/mol, XLogP of 0.72, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,7-dihydroquinoxalin-7-id-2-one;yttrium is sourced from PubChem (CID 58916328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).