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

C12H20NRu — CID 58746480

IUPAC2-(2,4-dimethylpentan-2-yl)-5-methyl-3,4-dihydropyrrol-4-ide;ruthenium(1+)
SMILESCC1=[C-]CC(C(C)(C)CC(C)C)=N1.[Ru+]
InChIInChI=1S/C12H20N.Ru/c1-9(2)8-12(4,5)11-7-6-10(3)13-11;/h9H,7-8H2,1-5H3;/q-1;+1
InChIKeyDLXIDBUFZRIDQG-UHFFFAOYSA-N
MW279.37 g/mol
LogP3.61
Rot. Bonds3

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

2-(2,4-dimethylpentan-2-yl)-5-methyl-3,4-dihydropyrrol-4-ide;ruthenium(1+) (PubChem CID 58746480) has the molecular formula C12H20NRu and a molecular weight of 279.37 g/mol. Its IUPAC name is 2-(2,4-dimethylpentan-2-yl)-5-methyl-3,4-dihydropyrrol-4-ide;ruthenium(1+).

Molecular Properties

Compound Name2-(2,4-dimethylpentan-2-yl)-5-methyl-3,4-dihydropyrrol-4-ide;ruthenium(1+)
PubChem CID58746480
Molecular FormulaC12H20NRu
Molecular Weight279.37 g/mol
Exact Mass280.06
IUPAC Name2-(2,4-dimethylpentan-2-yl)-5-methyl-3,4-dihydropyrrol-4-ide;ruthenium(1+)
SMILESCC1=[C-]CC(C(C)(C)CC(C)C)=N1.[Ru+]
InChIInChI=1S/C12H20N.Ru/c1-9(2)8-12(4,5)11-7-6-10(3)13-11;/h9H,7-8H2,1-5H3;/q-1;+1
InChIKeyDLXIDBUFZRIDQG-UHFFFAOYSA-N
XLogP3.61
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.37
LogP ≤ 53.61
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-tert-butyl-4,5-dimethyl-3H-pyrrole
CID 21050596
3,4,5,6-Tetramethyl-2-propan-2-yl-3,4-dihydropyridine
CID 57757693
3,3,4,4-Tetramethyl-2-propan-2-yl-5-propan-2-ylidenepyrrole
CID 58795703
2,4,5-tri(propan-2-yl)-3H-pyrrole
CID 59300719
4,5-ditert-butyl-2-methyl-3H-pyrrole
CID 59636879
3,4,5-trimethyl-2-(3-methylpentan-2-yl)-3H-pyrrole
CID 90310491
6-Ethyl-5-methyl-2-propan-2-yl-3,4-dihydropyridine
CID 123617444
4-tert-butyl-2,5-dimethyl-3H-pyrrole
CID 129134131
4,5-ditert-butyl-2-(2-tritiopropan-2-yl)-3H-pyrrole
CID 146956504
4,5-ditert-butyl-2-(2-tritiopropan-2-yl)-3H-pyrrole;methane
CID 160223497
5,6-Dimethyl-2-propan-2-yl-3,4-dihydropyridine
CID 163258787
2,3-ditert-butyl-4,5,6,7-tetrahydro-3aH-indole
CID 164761855

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethylpentan-2-yl)-5-methyl-3,4-dihydropyrrol-4-ide;ruthenium(1+)?
The IUPAC name of 2-(2,4-dimethylpentan-2-yl)-5-methyl-3,4-dihydropyrrol-4-ide;ruthenium(1+) (CID 58746480) is 2-(2,4-dimethylpentan-2-yl)-5-methyl-3,4-dihydropyrrol-4-ide;ruthenium(1+).
What is the SMILES notation for 2-(2,4-dimethylpentan-2-yl)-5-methyl-3,4-dihydropyrrol-4-ide;ruthenium(1+)?
The canonical SMILES for 2-(2,4-dimethylpentan-2-yl)-5-methyl-3,4-dihydropyrrol-4-ide;ruthenium(1+) is CC1=[C-]CC(C(C)(C)CC(C)C)=N1.[Ru+].
What is the InChIKey of 2-(2,4-dimethylpentan-2-yl)-5-methyl-3,4-dihydropyrrol-4-ide;ruthenium(1+)?
The InChIKey is DLXIDBUFZRIDQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N.Ru/c1-9(2)8-12(4,5)11-7-6-10(3)13-11;/h9H,7-8H2,1-5H3;/q-1;+1.
What are the key properties of 2-(2,4-dimethylpentan-2-yl)-5-methyl-3,4-dihydropyrrol-4-ide;ruthenium(1+)?
2-(2,4-dimethylpentan-2-yl)-5-methyl-3,4-dihydropyrrol-4-ide;ruthenium(1+) has a molecular weight of 279.37 g/mol, XLogP of 3.61, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dimethylpentan-2-yl)-5-methyl-3,4-dihydropyrrol-4-ide;ruthenium(1+) is sourced from PubChem (CID 58746480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).