3-propa-1,2-dienyl-1,3-oxazolidin-4-id-2-one;tungsten

C6H6NO2W- — CID 135012900

IUPAC3-propa-1,2-dienyl-1,3-oxazolidin-4-id-2-one;tungsten
SMILESC=C=CN1[CH-]COC1=O.[W]
InChIInChI=1S/C6H6NO2.W/c1-2-3-7-4-5-9-6(7)8;/h3-4H,1,5H2;/q-1;
InChIKeyGAWFBNRVOPWEPW-UHFFFAOYSA-N
MW307.96 g/mol
LogP0.90
Rot. Bonds1

About 3-propa-1,2-dienyl-1,3-oxazolidin-4-id-2-one;tungsten

3-propa-1,2-dienyl-1,3-oxazolidin-4-id-2-one;tungsten (PubChem CID 135012900) has the molecular formula C6H6NO2W- and a molecular weight of 307.96 g/mol. Its IUPAC name is 3-propa-1,2-dienyl-1,3-oxazolidin-4-id-2-one;tungsten.

Molecular Properties

Compound Name3-propa-1,2-dienyl-1,3-oxazolidin-4-id-2-one;tungsten
PubChem CID135012900
Molecular FormulaC6H6NO2W-
Molecular Weight307.96 g/mol
Exact Mass307.99
IUPAC Name3-propa-1,2-dienyl-1,3-oxazolidin-4-id-2-one;tungsten
SMILESC=C=CN1[CH-]COC1=O.[W]
InChIInChI=1S/C6H6NO2.W/c1-2-3-7-4-5-9-6(7)8;/h3-4H,1,5H2;/q-1;
InChIKeyGAWFBNRVOPWEPW-UHFFFAOYSA-N
XLogP0.90
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.96
LogP ≤ 50.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-propa-1,2-dienyl-1,3-oxazolidin-4-id-2-one;tungsten with MolForge

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Launch Full Analysis

Related Compounds

N-vinyl-2-oxazolidinone
CID 77952
3-Propadienyl-1,3-oxazolidin-2-one
CID 45087238
2-Oxazolidinone, 3-(1E)-1-propenyl-
CID 11815870
2-Oxazolidinone, 3-(1E)-1,3-butadienyl-
CID 10887987
3-(2-Methylprop-1-enyl)-1,3-oxazolidin-2-one
CID 11194390
3-Buta-1,2-dienyl-1,3-oxazolidin-2-one
CID 12173734
3-(3-Methylbuta-1,2-dienyl)-1,3-oxazolidin-2-one
CID 86054626
Lithium 1-(2-oxo-1,3-oxazolidin-3-yl)ethenolate
CID 135076430
3-Prop-1-enyl-1,3-oxazolidin-2-one
CID 73115226
3-[(1Z)-buta-1,3-dienyl]-1,3-oxazolidin-2-one
CID 45087817
2-Aziridinecarboxylic acid, 2-ethoxy-3-ethyl-,ethylester
CID 85303540
Lithium 3-propa-1,2-dienyl-1,3-oxazolidin-2-one
CID 177489345

Frequently Asked Questions

What is the IUPAC name of 3-propa-1,2-dienyl-1,3-oxazolidin-4-id-2-one;tungsten?
The IUPAC name of 3-propa-1,2-dienyl-1,3-oxazolidin-4-id-2-one;tungsten (CID 135012900) is 3-propa-1,2-dienyl-1,3-oxazolidin-4-id-2-one;tungsten.
What is the SMILES notation for 3-propa-1,2-dienyl-1,3-oxazolidin-4-id-2-one;tungsten?
The canonical SMILES for 3-propa-1,2-dienyl-1,3-oxazolidin-4-id-2-one;tungsten is C=C=CN1[CH-]COC1=O.[W].
What is the InChIKey of 3-propa-1,2-dienyl-1,3-oxazolidin-4-id-2-one;tungsten?
The InChIKey is GAWFBNRVOPWEPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6NO2.W/c1-2-3-7-4-5-9-6(7)8;/h3-4H,1,5H2;/q-1;.
What are the key properties of 3-propa-1,2-dienyl-1,3-oxazolidin-4-id-2-one;tungsten?
3-propa-1,2-dienyl-1,3-oxazolidin-4-id-2-one;tungsten has a molecular weight of 307.96 g/mol, XLogP of 0.90, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propa-1,2-dienyl-1,3-oxazolidin-4-id-2-one;tungsten is sourced from PubChem (CID 135012900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).