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

C27H49N2Ru — CID 159404801

IUPAC2-(2,4-dimethylpentan-2-yl)-5-methyl-3,4-dihydropyrrol-4-ide;2-(2,4-dimethylpentan-2-yl)-4,4,5,5-tetramethyl-3H-pyrrole;ruthenium(1+)
SMILESCC(C)CC(C)(C)C1=NC(C)(C)C(C)(C)C1.CC1=[C-]CC(C(C)(C)CC(C)C)=N1.[Ru+]
InChIInChI=1S/C15H29N.C12H20N.Ru/c1-11(2)9-13(3,4)12-10-14(5,6)15(7,8)16-12;1-9(2)8-12(4,5)11-7-6-10(3)13-11;/h11H,9-10H2,1-8H3;9H,7-8H2,1-5H3;/q;-1;+1
InChIKeyUTMOENUVJQUPBH-UHFFFAOYSA-N
MW502.77 g/mol
LogP8.32
Rot. Bonds6

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

2-(2,4-dimethylpentan-2-yl)-5-methyl-3,4-dihydropyrrol-4-ide;2-(2,4-dimethylpentan-2-yl)-4,4,5,5-tetramethyl-3H-pyrrole;ruthenium(1+) (PubChem CID 159404801) has the molecular formula C27H49N2Ru and a molecular weight of 502.77 g/mol. Its IUPAC name is 2-(2,4-dimethylpentan-2-yl)-5-methyl-3,4-dihydropyrrol-4-ide;2-(2,4-dimethylpentan-2-yl)-4,4,5,5-tetramethyl-3H-pyrrole;ruthenium(1+).

Molecular Properties

Compound Name2-(2,4-dimethylpentan-2-yl)-5-methyl-3,4-dihydropyrrol-4-ide;2-(2,4-dimethylpentan-2-yl)-4,4,5,5-tetramethyl-3H-pyrrole;ruthenium(1+)
PubChem CID159404801
Molecular FormulaC27H49N2Ru
Molecular Weight502.77 g/mol
Exact Mass503.29
IUPAC Name2-(2,4-dimethylpentan-2-yl)-5-methyl-3,4-dihydropyrrol-4-ide;2-(2,4-dimethylpentan-2-yl)-4,4,5,5-tetramethyl-3H-pyrrole;ruthenium(1+)
SMILESCC(C)CC(C)(C)C1=NC(C)(C)C(C)(C)C1.CC1=[C-]CC(C(C)(C)CC(C)C)=N1.[Ru+]
InChIInChI=1S/C15H29N.C12H20N.Ru/c1-11(2)9-13(3,4)12-10-14(5,6)15(7,8)16-12;1-9(2)8-12(4,5)11-7-6-10(3)13-11;/h11H,9-10H2,1-8H3;9H,7-8H2,1-5H3;/q;-1;+1
InChIKeyUTMOENUVJQUPBH-UHFFFAOYSA-N
XLogP8.32
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500502.77
LogP ≤ 58.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Analyze 2-(2,4-dimethylpentan-2-yl)-5-methyl-3,4-dihydropyrrol-4-ide;2-(2,4-dimethylpentan-2-yl)-4,4,5,5-tetramethyl-3H-pyrrole;ruthenium(1+) with MolForge

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Related Compounds

5-methyl-2-propan-2-yl-3,4-dihydropyrrol-4-ide;ruthenium(1+);4,4,5,5-tetramethyl-2-propan-2-yl-3H-pyrrole
CID 160618928
2,6-ditert-butyl-4,5,6,7-tetrahydro-3H-indole
CID 163908797

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethylpentan-2-yl)-5-methyl-3,4-dihydropyrrol-4-ide;2-(2,4-dimethylpentan-2-yl)-4,4,5,5-tetramethyl-3H-pyrrole;ruthenium(1+)?
The IUPAC name of 2-(2,4-dimethylpentan-2-yl)-5-methyl-3,4-dihydropyrrol-4-ide;2-(2,4-dimethylpentan-2-yl)-4,4,5,5-tetramethyl-3H-pyrrole;ruthenium(1+) (CID 159404801) is 2-(2,4-dimethylpentan-2-yl)-5-methyl-3,4-dihydropyrrol-4-ide;2-(2,4-dimethylpentan-2-yl)-4,4,5,5-tetramethyl-3H-pyrrole;ruthenium(1+).
What is the SMILES notation for 2-(2,4-dimethylpentan-2-yl)-5-methyl-3,4-dihydropyrrol-4-ide;2-(2,4-dimethylpentan-2-yl)-4,4,5,5-tetramethyl-3H-pyrrole;ruthenium(1+)?
The canonical SMILES for 2-(2,4-dimethylpentan-2-yl)-5-methyl-3,4-dihydropyrrol-4-ide;2-(2,4-dimethylpentan-2-yl)-4,4,5,5-tetramethyl-3H-pyrrole;ruthenium(1+) is CC(C)CC(C)(C)C1=NC(C)(C)C(C)(C)C1.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;2-(2,4-dimethylpentan-2-yl)-4,4,5,5-tetramethyl-3H-pyrrole;ruthenium(1+)?
The InChIKey is UTMOENUVJQUPBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N.C12H20N.Ru/c1-11(2)9-13(3,4)12-10-14(5,6)15(7,8)16-12;1-9(2)8-12(4,5)11-7-6-10(3)13-11;/h11H,9-10H2,1-8H3;9H,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;2-(2,4-dimethylpentan-2-yl)-4,4,5,5-tetramethyl-3H-pyrrole;ruthenium(1+)?
2-(2,4-dimethylpentan-2-yl)-5-methyl-3,4-dihydropyrrol-4-ide;2-(2,4-dimethylpentan-2-yl)-4,4,5,5-tetramethyl-3H-pyrrole;ruthenium(1+) has a molecular weight of 502.77 g/mol, XLogP of 8.32, 6 rotatable bonds, 0 hydrogen bond donors, and 2 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;2-(2,4-dimethylpentan-2-yl)-4,4,5,5-tetramethyl-3H-pyrrole;ruthenium(1+) is sourced from PubChem (CID 159404801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).