carbanide;2-(2-oxopropyl)isoindole-1,3-dione;tungsten

C12H12NO3W- — CID 158979735

IUPACcarbanide;2-(2-oxopropyl)isoindole-1,3-dione;tungsten
SMILESCC(=O)CN1C(=O)c2ccccc2C1=O.[CH3-].[W]
InChIInChI=1S/C11H9NO3.CH3.W/c1-7(13)6-12-10(14)8-4-2-3-5-9(8)11(12)15;;/h2-5H,6H2,1H3;1H3;/q;-1;
InChIKeyXJTSCLYWJDRAJV-UHFFFAOYSA-N
MW402.07 g/mol
LogP1.32
Rot. Bonds2

About carbanide;2-(2-oxopropyl)isoindole-1,3-dione;tungsten

carbanide;2-(2-oxopropyl)isoindole-1,3-dione;tungsten (PubChem CID 158979735) has the molecular formula C12H12NO3W- and a molecular weight of 402.07 g/mol. Its IUPAC name is carbanide;2-(2-oxopropyl)isoindole-1,3-dione;tungsten.

Molecular Properties

Compound Namecarbanide;2-(2-oxopropyl)isoindole-1,3-dione;tungsten
PubChem CID158979735
Molecular FormulaC12H12NO3W-
Molecular Weight402.07 g/mol
Exact Mass402.03
IUPAC Namecarbanide;2-(2-oxopropyl)isoindole-1,3-dione;tungsten
SMILESCC(=O)CN1C(=O)c2ccccc2C1=O.[CH3-].[W]
InChIInChI=1S/C11H9NO3.CH3.W/c1-7(13)6-12-10(14)8-4-2-3-5-9(8)11(12)15;;/h2-5H,6H2,1H3;1H3;/q;-1;
InChIKeyXJTSCLYWJDRAJV-UHFFFAOYSA-N
XLogP1.32
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.07
LogP ≤ 51.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(2-oxopropyl)-4H-isoquinoline-1,3-dione
CID 62024142
2-(1,3-dioxoisoindol-2-yl)acetyl chloride
CID 11031536
5-bromo-2-(2-oxopropyl)isoindole-1,3-dione
CID 71186577
2-(4-amino-2,3-dimethylbut-2-enyl)isoindole-1,3-dione
CID 138523801
N-(2-acetamidoethyl)-2-(1,3-dioxoisoindol-2-yl)acetamide
CID 110756132
2-(3-iodo-2-oxopropyl)isoindole-1,3-dione
CID 71756469
2-[2-(4-methylphenyl)-2-oxoethyl]isoindole-1,3-dione
CID 11987559
N-(2-acetamidophenyl)-2-(1,3-dioxoisoindol-2-yl)acetamide
CID 973448
2-(2-fluoro-4-hydroxy-3-methylbut-2-enyl)isoindole-1,3-dione
CID 158516892
N-[(1,3-dioxoisoindol-2-yl)methyl]-N-methylacetamide
CID 12815728
2-(1,3-dioxoisoindol-2-yl)acetic acid;piperazine
CID 21152099
5-(1,3-dioxoisoindol-2-yl)-4-oxopentanoic acid
CID 15049038

Frequently Asked Questions

What is the IUPAC name of carbanide;2-(2-oxopropyl)isoindole-1,3-dione;tungsten?
The IUPAC name of carbanide;2-(2-oxopropyl)isoindole-1,3-dione;tungsten (CID 158979735) is carbanide;2-(2-oxopropyl)isoindole-1,3-dione;tungsten.
What is the SMILES notation for carbanide;2-(2-oxopropyl)isoindole-1,3-dione;tungsten?
The canonical SMILES for carbanide;2-(2-oxopropyl)isoindole-1,3-dione;tungsten is CC(=O)CN1C(=O)c2ccccc2C1=O.[CH3-].[W].
What is the InChIKey of carbanide;2-(2-oxopropyl)isoindole-1,3-dione;tungsten?
The InChIKey is XJTSCLYWJDRAJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9NO3.CH3.W/c1-7(13)6-12-10(14)8-4-2-3-5-9(8)11(12)15;;/h2-5H,6H2,1H3;1H3;/q;-1;.
What are the key properties of carbanide;2-(2-oxopropyl)isoindole-1,3-dione;tungsten?
carbanide;2-(2-oxopropyl)isoindole-1,3-dione;tungsten has a molecular weight of 402.07 g/mol, XLogP of 1.32, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for carbanide;2-(2-oxopropyl)isoindole-1,3-dione;tungsten is sourced from PubChem (CID 158979735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).