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

C19H33N2Ru — CID 160618928

IUPAC5-methyl-2-propan-2-yl-3,4-dihydropyrrol-4-ide;ruthenium(1+);4,4,5,5-tetramethyl-2-propan-2-yl-3H-pyrrole
SMILESCC(C)C1=NC(C)(C)C(C)(C)C1.CC1=[C-]CC(C(C)C)=N1.[Ru+]
InChIInChI=1S/C11H21N.C8H12N.Ru/c1-8(2)9-7-10(3,4)11(5,6)12-9;1-6(2)8-5-4-7(3)9-8;/h8H,7H2,1-6H3;6H,5H2,1-3H3;/q;-1;+1
InChIKeyOTPBHTYJQKJIKN-UHFFFAOYSA-N
MW390.56 g/mol
LogP5.48
Rot. Bonds2

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

5-methyl-2-propan-2-yl-3,4-dihydropyrrol-4-ide;ruthenium(1+);4,4,5,5-tetramethyl-2-propan-2-yl-3H-pyrrole (PubChem CID 160618928) has the molecular formula C19H33N2Ru and a molecular weight of 390.56 g/mol. Its IUPAC name is 5-methyl-2-propan-2-yl-3,4-dihydropyrrol-4-ide;ruthenium(1+);4,4,5,5-tetramethyl-2-propan-2-yl-3H-pyrrole.

Molecular Properties

Compound Name5-methyl-2-propan-2-yl-3,4-dihydropyrrol-4-ide;ruthenium(1+);4,4,5,5-tetramethyl-2-propan-2-yl-3H-pyrrole
PubChem CID160618928
Molecular FormulaC19H33N2Ru
Molecular Weight390.56 g/mol
Exact Mass391.17
IUPAC Name5-methyl-2-propan-2-yl-3,4-dihydropyrrol-4-ide;ruthenium(1+);4,4,5,5-tetramethyl-2-propan-2-yl-3H-pyrrole
SMILESCC(C)C1=NC(C)(C)C(C)(C)C1.CC1=[C-]CC(C(C)C)=N1.[Ru+]
InChIInChI=1S/C11H21N.C8H12N.Ru/c1-8(2)9-7-10(3,4)11(5,6)12-9;1-6(2)8-5-4-7(3)9-8;/h8H,7H2,1-6H3;6H,5H2,1-3H3;/q;-1;+1
InChIKeyOTPBHTYJQKJIKN-UHFFFAOYSA-N
XLogP5.48
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.56
LogP ≤ 55.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(4,4,5,5-tetramethyl-3H-pyrrol-2-yl)-N-[2-(2,3,4-trimethylcyclopenta-1,3-dien-1-yl)propan-2-yl]ethanimine
CID 20681062
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
5-[3,4-Dimethyl-4-(4,4,5-trimethylpyrrol-2-yl)hexan-3-yl]-2,3,3-trimethylpyrrole
CID 10806203

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-propan-2-yl-3,4-dihydropyrrol-4-ide;ruthenium(1+);4,4,5,5-tetramethyl-2-propan-2-yl-3H-pyrrole?
The IUPAC name of 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) is 5-methyl-2-propan-2-yl-3,4-dihydropyrrol-4-ide;ruthenium(1+);4,4,5,5-tetramethyl-2-propan-2-yl-3H-pyrrole.
What is the SMILES notation for 5-methyl-2-propan-2-yl-3,4-dihydropyrrol-4-ide;ruthenium(1+);4,4,5,5-tetramethyl-2-propan-2-yl-3H-pyrrole?
The canonical SMILES for 5-methyl-2-propan-2-yl-3,4-dihydropyrrol-4-ide;ruthenium(1+);4,4,5,5-tetramethyl-2-propan-2-yl-3H-pyrrole is CC(C)C1=NC(C)(C)C(C)(C)C1.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+);4,4,5,5-tetramethyl-2-propan-2-yl-3H-pyrrole?
The InChIKey is OTPBHTYJQKJIKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N.C8H12N.Ru/c1-8(2)9-7-10(3,4)11(5,6)12-9;1-6(2)8-5-4-7(3)9-8;/h8H,7H2,1-6H3;6H,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+);4,4,5,5-tetramethyl-2-propan-2-yl-3H-pyrrole?
5-methyl-2-propan-2-yl-3,4-dihydropyrrol-4-ide;ruthenium(1+);4,4,5,5-tetramethyl-2-propan-2-yl-3H-pyrrole has a molecular weight of 390.56 g/mol, XLogP of 5.48, 2 rotatable bonds, 0 hydrogen bond donors, and 2 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+);4,4,5,5-tetramethyl-2-propan-2-yl-3H-pyrrole is sourced from PubChem (CID 160618928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).