5-methyl-2-propan-2-yl-3,4-dihydropyrrol-4-ide;ruthenium(1+)

C8H12NRu — CID 58746478

IUPAC5-methyl-2-propan-2-yl-3,4-dihydropyrrol-4-ide;ruthenium(1+)
SMILESCC1=[C-]CC(C(C)C)=N1.[Ru+]
InChIInChI=1S/C8H12N.Ru/c1-6(2)8-5-4-7(3)9-8;/h6H,5H2,1-3H3;/q-1;+1
InChIKeyVFWUGJJMUREOCA-UHFFFAOYSA-N
MW223.26 g/mol
LogP2.19
Rot. Bonds1

About 5-methyl-2-propan-2-yl-3,4-dihydropyrrol-4-ide;ruthenium(1+)

5-methyl-2-propan-2-yl-3,4-dihydropyrrol-4-ide;ruthenium(1+) (PubChem CID 58746478) has the molecular formula C8H12NRu and a molecular weight of 223.26 g/mol. Its IUPAC name is 5-methyl-2-propan-2-yl-3,4-dihydropyrrol-4-ide;ruthenium(1+).

Molecular Properties

Compound Name5-methyl-2-propan-2-yl-3,4-dihydropyrrol-4-ide;ruthenium(1+)
PubChem CID58746478
Molecular FormulaC8H12NRu
Molecular Weight223.26 g/mol
Exact Mass224.00
IUPAC Name5-methyl-2-propan-2-yl-3,4-dihydropyrrol-4-ide;ruthenium(1+)
SMILESCC1=[C-]CC(C(C)C)=N1.[Ru+]
InChIInChI=1S/C8H12N.Ru/c1-6(2)8-5-4-7(3)9-8;/h6H,5H2,1-3H3;/q-1;+1
InChIKeyVFWUGJJMUREOCA-UHFFFAOYSA-N
XLogP2.19
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.26
LogP ≤ 52.19
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

4-ethyl-2,5-dimethyl-3H-pyrrole
CID 20765952
4-ethyl-2,3,5-trimethyl-3H-pyrrole
CID 21054911
2,3,4,5-tetramethyl-3H-pyrrole
CID 53757448
2-methyl-4,5-di(propan-2-yl)-3H-pyrrole
CID 58201783
2,5-di(propan-2-yl)-3H-pyrrole
CID 58428380
5-methyl-2-propan-2-yl-3H-pyrrole
CID 58746479
4,5-dimethyl-2-propan-2-yl-3H-pyrrole
CID 58746494
carbanide;meitnerium;2,3,4,5-tetramethyl-3H-pyrrole
CID 59085074
2,4,5-tri(propan-2-yl)-3H-pyrrole
CID 59300719
2,4-dimethyl-5-propan-2-yl-3H-pyrrole
CID 68249327
4-methyl-2,5-di(propan-2-yl)-3H-pyrrole
CID 68404428
2-ethyl-4,5-dimethyl-3H-pyrrole
CID 89100809

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-propan-2-yl-3,4-dihydropyrrol-4-ide;ruthenium(1+)?
The IUPAC name of 5-methyl-2-propan-2-yl-3,4-dihydropyrrol-4-ide;ruthenium(1+) (CID 58746478) is 5-methyl-2-propan-2-yl-3,4-dihydropyrrol-4-ide;ruthenium(1+).
What is the SMILES notation for 5-methyl-2-propan-2-yl-3,4-dihydropyrrol-4-ide;ruthenium(1+)?
The canonical SMILES for 5-methyl-2-propan-2-yl-3,4-dihydropyrrol-4-ide;ruthenium(1+) is CC1=[C-]CC(C(C)C)=N1.[Ru+].
What is the InChIKey of 5-methyl-2-propan-2-yl-3,4-dihydropyrrol-4-ide;ruthenium(1+)?
The InChIKey is VFWUGJJMUREOCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N.Ru/c1-6(2)8-5-4-7(3)9-8;/h6H,5H2,1-3H3;/q-1;+1.
What are the key properties of 5-methyl-2-propan-2-yl-3,4-dihydropyrrol-4-ide;ruthenium(1+)?
5-methyl-2-propan-2-yl-3,4-dihydropyrrol-4-ide;ruthenium(1+) has a molecular weight of 223.26 g/mol, XLogP of 2.19, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-propan-2-yl-3,4-dihydropyrrol-4-ide;ruthenium(1+) is sourced from PubChem (CID 58746478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).