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

C8H12NW- — CID 59834186

IUPAC5-ethyl-2-ethyl-3H-pyrrole;tungsten
SMILESC[CH-]C1=NC(CC)=CC1.[W]
InChIInChI=1S/C8H12N.W/c1-3-7-5-6-8(4-2)9-7;/h3,6H,4-5H2,1-2H3;/q-1;
InChIKeyUOJYHSNFJXCNHE-UHFFFAOYSA-N
MW306.03 g/mol
LogP2.35
Rot. Bonds2

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

5-ethyl-2-ethyl-3H-pyrrole;tungsten (PubChem CID 59834186) has the molecular formula C8H12NW- and a molecular weight of 306.03 g/mol. Its IUPAC name is 5-ethyl-2-ethyl-3H-pyrrole;tungsten.

Molecular Properties

Compound Name5-ethyl-2-ethyl-3H-pyrrole;tungsten
PubChem CID59834186
Molecular FormulaC8H12NW-
Molecular Weight306.03 g/mol
Exact Mass306.05
IUPAC Name5-ethyl-2-ethyl-3H-pyrrole;tungsten
SMILESC[CH-]C1=NC(CC)=CC1.[W]
InChIInChI=1S/C8H12N.W/c1-3-7-5-6-8(4-2)9-7;/h3,6H,4-5H2,1-2H3;/q-1;
InChIKeyUOJYHSNFJXCNHE-UHFFFAOYSA-N
XLogP2.35
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.03
LogP ≤ 52.35
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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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-2-ethyl-3H-pyrrole;tungsten?
The IUPAC name of 5-ethyl-2-ethyl-3H-pyrrole;tungsten (CID 59834186) is 5-ethyl-2-ethyl-3H-pyrrole;tungsten.
What is the SMILES notation for 5-ethyl-2-ethyl-3H-pyrrole;tungsten?
The canonical SMILES for 5-ethyl-2-ethyl-3H-pyrrole;tungsten is C[CH-]C1=NC(CC)=CC1.[W].
What is the InChIKey of 5-ethyl-2-ethyl-3H-pyrrole;tungsten?
The InChIKey is UOJYHSNFJXCNHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N.W/c1-3-7-5-6-8(4-2)9-7;/h3,6H,4-5H2,1-2H3;/q-1;.
What are the key properties of 5-ethyl-2-ethyl-3H-pyrrole;tungsten?
5-ethyl-2-ethyl-3H-pyrrole;tungsten has a molecular weight of 306.03 g/mol, XLogP of 2.35, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-2-ethyl-3H-pyrrole;tungsten is sourced from PubChem (CID 59834186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).