2,2-dimethylpyrrole;ruthenium

C6H9NRu — CID 174567335

IUPAC2,2-dimethylpyrrole;ruthenium
SMILESCC1(C)C=CC=N1.[Ru]
InChIInChI=1S/C6H9N.Ru/c1-6(2)4-3-5-7-6;/h3-5H,1-2H3;
InChIKeyXQHKMCHQUNSZHF-UHFFFAOYSA-N
MW196.22 g/mol
LogP1.40
Rot. Bonds

About 2,2-dimethylpyrrole;ruthenium

2,2-dimethylpyrrole;ruthenium (PubChem CID 174567335) has the molecular formula C6H9NRu and a molecular weight of 196.22 g/mol. Its IUPAC name is 2,2-dimethylpyrrole;ruthenium.

Molecular Properties

Compound Name2,2-dimethylpyrrole;ruthenium
PubChem CID174567335
Molecular FormulaC6H9NRu
Molecular Weight196.22 g/mol
Exact Mass196.98
IUPAC Name2,2-dimethylpyrrole;ruthenium
SMILESCC1(C)C=CC=N1.[Ru]
InChIInChI=1S/C6H9N.Ru/c1-6(2)4-3-5-7-6;/h3-5H,1-2H3;
InChIKeyXQHKMCHQUNSZHF-UHFFFAOYSA-N
XLogP1.40
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.22
LogP ≤ 51.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-methyl-2H-pyrrole
CID 18970006
2,2-Dimethyl-2,3-dihydropyridine
CID 91431547
2-Methyl-2-cyano-2h-pyrrole
CID 129693991
2H-Pyrrole, 2,2-dimethyl-, 1-oxide
CID 6455422
4-Azaspiro[2.4]hepta-1,4,6-triene
CID 71445357
(E)-N-tert-butyl-4,4-dimethylpent-2-en-1-imine
CID 10464698
2,3-dimethyl-2H-pyrrole
CID 14938985
5-ethenyl-3-methyl-2H-pyrrole
CID 20774315
2-But-2-enyl-2-ethylpyrrole
CID 57004955
2,2-Dimethylpyrrole
CID 57914006
3-prop-1-enyl-2H-pyrrole
CID 58451432
(Z)-N-tert-butyl-4,4-dimethylpent-2-en-1-imine
CID 58765980

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethylpyrrole;ruthenium?
The IUPAC name of 2,2-dimethylpyrrole;ruthenium (CID 174567335) is 2,2-dimethylpyrrole;ruthenium.
What is the SMILES notation for 2,2-dimethylpyrrole;ruthenium?
The canonical SMILES for 2,2-dimethylpyrrole;ruthenium is CC1(C)C=CC=N1.[Ru].
What is the InChIKey of 2,2-dimethylpyrrole;ruthenium?
The InChIKey is XQHKMCHQUNSZHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N.Ru/c1-6(2)4-3-5-7-6;/h3-5H,1-2H3;.
What are the key properties of 2,2-dimethylpyrrole;ruthenium?
2,2-dimethylpyrrole;ruthenium has a molecular weight of 196.22 g/mol, XLogP of 1.40, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethylpyrrole;ruthenium is sourced from PubChem (CID 174567335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).