5-ethyl-2-methanidyl-3H-pyrrole;tungsten

C7H10NW- — CID 59834198

IUPAC5-ethyl-2-methanidyl-3H-pyrrole;tungsten
SMILES[CH2-]C1=NC(CC)=CC1.[W]
InChIInChI=1S/C7H10N.W/c1-3-7-5-4-6(2)8-7;/h5H,2-4H2,1H3;/q-1;
InChIKeyTUMYYYLPTAKATF-UHFFFAOYSA-N
MW292.00 g/mol
LogP1.96
Rot. Bonds1

About 5-ethyl-2-methanidyl-3H-pyrrole;tungsten

5-ethyl-2-methanidyl-3H-pyrrole;tungsten (PubChem CID 59834198) has the molecular formula C7H10NW- and a molecular weight of 292.00 g/mol. Its IUPAC name is 5-ethyl-2-methanidyl-3H-pyrrole;tungsten.

Molecular Properties

Compound Name5-ethyl-2-methanidyl-3H-pyrrole;tungsten
PubChem CID59834198
Molecular FormulaC7H10NW-
Molecular Weight292.00 g/mol
Exact Mass292.03
IUPAC Name5-ethyl-2-methanidyl-3H-pyrrole;tungsten
SMILES[CH2-]C1=NC(CC)=CC1.[W]
InChIInChI=1S/C7H10N.W/c1-3-7-5-4-6(2)8-7;/h5H,2-4H2,1H3;/q-1;
InChIKeyTUMYYYLPTAKATF-UHFFFAOYSA-N
XLogP1.96
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.00
LogP ≤ 51.96
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

2,3,3,5-Tetramethylpyrrole
CID 13734873
5Hlutidine
CID 53805573
3-Fluoro-2,6-dimethyl-3,4-dihydropyridine
CID 134593926
2-(Fluoromethyl)-6-methyl-3,4-dihydropyridine
CID 170610964
2,5-dimethyl-3H-pyrrole
CID 20592628
5-tert-butyl-2-methyl-3H-pyrrole
CID 58263517
2-methyl-5-(2-methylpropyl)-3H-pyrrole
CID 58333388
2-methyl-5-propan-2-yl-3H-pyrrole
CID 58477147
2,5-dimethyl-3H-pyrrol-1-ium
CID 58892180
CID 58934437
CID 58934437
5-ethyl-2-ethyl-3H-pyrrole;tungsten
CID 59834186
5-ethyl-2-methyl-3H-pyrrole
CID 59834199

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-2-methanidyl-3H-pyrrole;tungsten?
The IUPAC name of 5-ethyl-2-methanidyl-3H-pyrrole;tungsten (CID 59834198) is 5-ethyl-2-methanidyl-3H-pyrrole;tungsten.
What is the SMILES notation for 5-ethyl-2-methanidyl-3H-pyrrole;tungsten?
The canonical SMILES for 5-ethyl-2-methanidyl-3H-pyrrole;tungsten is [CH2-]C1=NC(CC)=CC1.[W].
What is the InChIKey of 5-ethyl-2-methanidyl-3H-pyrrole;tungsten?
The InChIKey is TUMYYYLPTAKATF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N.W/c1-3-7-5-4-6(2)8-7;/h5H,2-4H2,1H3;/q-1;.
What are the key properties of 5-ethyl-2-methanidyl-3H-pyrrole;tungsten?
5-ethyl-2-methanidyl-3H-pyrrole;tungsten has a molecular weight of 292.00 g/mol, XLogP of 1.96, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-2-methanidyl-3H-pyrrole;tungsten is sourced from PubChem (CID 59834198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).