carbanide;2-ethylcyclopenta-1,3-diene;nitroxyl anion;tungsten

C9H15NOW-4 — CID 87198937

IUPACcarbanide;2-ethylcyclopenta-1,3-diene;nitroxyl anion;tungsten
SMILESCCC1=[C-]CC=C1.[CH3-].[CH3-].[N-]=O.[W]
InChIInChI=1S/C7H9.2CH3.NO.W/c1-2-7-5-3-4-6-7;;;1-2;/h3,5H,2,4H2,1H3;2*1H3;;/q4*-1;
InChIKeyGCCRXZHWSDUJOW-UHFFFAOYSA-N
MW337.07 g/mol
LogP3.31
Rot. Bonds1

About carbanide;2-ethylcyclopenta-1,3-diene;nitroxyl anion;tungsten

carbanide;2-ethylcyclopenta-1,3-diene;nitroxyl anion;tungsten (PubChem CID 87198937) has the molecular formula C9H15NOW-4 and a molecular weight of 337.07 g/mol. Its IUPAC name is carbanide;2-ethylcyclopenta-1,3-diene;nitroxyl anion;tungsten.

Molecular Properties

Compound Namecarbanide;2-ethylcyclopenta-1,3-diene;nitroxyl anion;tungsten
PubChem CID87198937
Molecular FormulaC9H15NOW-4
Molecular Weight337.07 g/mol
Exact Mass337.07
IUPAC Namecarbanide;2-ethylcyclopenta-1,3-diene;nitroxyl anion;tungsten
SMILESCCC1=[C-]CC=C1.[CH3-].[CH3-].[N-]=O.[W]
InChIInChI=1S/C7H9.2CH3.NO.W/c1-2-7-5-3-4-6-7;;;1-2;/h3,5H,2,4H2,1H3;2*1H3;;/q4*-1;
InChIKeyGCCRXZHWSDUJOW-UHFFFAOYSA-N
XLogP3.31
TPSA39.37 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.07
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-ethylcyclopenta-1,3-diene;methanone;tungsten
CID 173030270
carbanide;bis(2-ethylcyclopenta-1,3-diene);hafnium(4+)
CID 140501181
2-ethylcyclopenta-1,3-diene;zinc
CID 173012592
2-ethylcyclopenta-1,3-diene;iridium
CID 173125355
2-ethylcyclopenta-1,3-diene;hafnium
CID 173317623
bis(2-ethylcyclopenta-1,3-diene);ruthenium(2+)
CID 22138507
bis(2-ethylcyclopenta-1,3-diene);hafnium(4+);dichloride
CID 73411812
bis(2-ethylcyclopenta-1,3-diene);zirconium(4+);difluoride
CID 87203276
1,2-dihydropyrrol-2-ide;2-ethylcyclopenta-1,3-diene;ruthenium(2+)
CID 87477496
cyclopenta-1,3-diene;2-ethylcyclopenta-1,3-diene;zirconium(2+)
CID 18431344
CID 173242746
CID 173242746
bis(2-propylcyclopenta-1,3-diene);zirconium(4+);difluoride
CID 86584684

Frequently Asked Questions

What is the IUPAC name of carbanide;2-ethylcyclopenta-1,3-diene;nitroxyl anion;tungsten?
The IUPAC name of carbanide;2-ethylcyclopenta-1,3-diene;nitroxyl anion;tungsten (CID 87198937) is carbanide;2-ethylcyclopenta-1,3-diene;nitroxyl anion;tungsten.
What is the SMILES notation for carbanide;2-ethylcyclopenta-1,3-diene;nitroxyl anion;tungsten?
The canonical SMILES for carbanide;2-ethylcyclopenta-1,3-diene;nitroxyl anion;tungsten is CCC1=[C-]CC=C1.[CH3-].[CH3-].[N-]=O.[W].
What is the InChIKey of carbanide;2-ethylcyclopenta-1,3-diene;nitroxyl anion;tungsten?
The InChIKey is GCCRXZHWSDUJOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9.2CH3.NO.W/c1-2-7-5-3-4-6-7;;;1-2;/h3,5H,2,4H2,1H3;2*1H3;;/q4*-1;.
What are the key properties of carbanide;2-ethylcyclopenta-1,3-diene;nitroxyl anion;tungsten?
carbanide;2-ethylcyclopenta-1,3-diene;nitroxyl anion;tungsten has a molecular weight of 337.07 g/mol, XLogP of 3.31, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for carbanide;2-ethylcyclopenta-1,3-diene;nitroxyl anion;tungsten is sourced from PubChem (CID 87198937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).