4-tert-butyl-2,3-dihydropyrrol-3-ide;tungsten

C8H12NW- — CID 59058980

IUPAC4-tert-butyl-2,3-dihydropyrrol-3-ide;tungsten
SMILESCC(C)(C)C1=[C-]CN=C1.[W]
InChIInChI=1S/C8H12N.W/c1-8(2,3)7-4-5-9-6-7;/h6H,5H2,1-3H3;/q-1;
InChIKeyBGSRXFUKWYMAOG-UHFFFAOYSA-N
MW306.03 g/mol
LogP1.84
Rot. Bonds

About 4-tert-butyl-2,3-dihydropyrrol-3-ide;tungsten

4-tert-butyl-2,3-dihydropyrrol-3-ide;tungsten (PubChem CID 59058980) has the molecular formula C8H12NW- and a molecular weight of 306.03 g/mol. Its IUPAC name is 4-tert-butyl-2,3-dihydropyrrol-3-ide;tungsten.

Molecular Properties

Compound Name4-tert-butyl-2,3-dihydropyrrol-3-ide;tungsten
PubChem CID59058980
Molecular FormulaC8H12NW-
Molecular Weight306.03 g/mol
Exact Mass306.05
IUPAC Name4-tert-butyl-2,3-dihydropyrrol-3-ide;tungsten
SMILESCC(C)(C)C1=[C-]CN=C1.[W]
InChIInChI=1S/C8H12N.W/c1-8(2,3)7-4-5-9-6-7;/h6H,5H2,1-3H3;/q-1;
InChIKeyBGSRXFUKWYMAOG-UHFFFAOYSA-N
XLogP1.84
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.03
LogP ≤ 51.84
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

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3,4-ditert-butyl-2H-pyrrole
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4-tert-butyl-3-ethyl-2H-pyrrole
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4-tert-butyl-2H-pyrrole
CID 59058981
3,3,4,5-tetramethyl-2H-pyridine
CID 70245539
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4-tert-butyl-3-methyl-2H-pyrrole
CID 89982328
3,4-diethyl-2H-pyrrole
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CID 90298995

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-2,3-dihydropyrrol-3-ide;tungsten?
The IUPAC name of 4-tert-butyl-2,3-dihydropyrrol-3-ide;tungsten (CID 59058980) is 4-tert-butyl-2,3-dihydropyrrol-3-ide;tungsten.
What is the SMILES notation for 4-tert-butyl-2,3-dihydropyrrol-3-ide;tungsten?
The canonical SMILES for 4-tert-butyl-2,3-dihydropyrrol-3-ide;tungsten is CC(C)(C)C1=[C-]CN=C1.[W].
What is the InChIKey of 4-tert-butyl-2,3-dihydropyrrol-3-ide;tungsten?
The InChIKey is BGSRXFUKWYMAOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N.W/c1-8(2,3)7-4-5-9-6-7;/h6H,5H2,1-3H3;/q-1;.
What are the key properties of 4-tert-butyl-2,3-dihydropyrrol-3-ide;tungsten?
4-tert-butyl-2,3-dihydropyrrol-3-ide;tungsten has a molecular weight of 306.03 g/mol, XLogP of 1.84, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-2,3-dihydropyrrol-3-ide;tungsten is sourced from PubChem (CID 59058980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).