1-prop-2-enylcyclopenta-1,3-diene;ruthenium;2,3,4,5-tetramethyl-1H-pyrrole

C16H23NRu — CID 174567272

IUPAC1-prop-2-enylcyclopenta-1,3-diene;ruthenium;2,3,4,5-tetramethyl-1H-pyrrole
SMILESC=CCC1=CC=CC1.Cc1[nH]c(C)c(C)c1C.[Ru]
InChIInChI=1S/C8H13N.C8H10.Ru/c1-5-6(2)8(4)9-7(5)3;1-2-5-8-6-3-4-7-8;/h9H,1-4H3;2-4,6H,1,5,7H2;
InChIKeyTYPWDFLDCVKNRQ-UHFFFAOYSA-N
MW330.44 g/mol
LogP4.69
Rot. Bonds2

About 1-prop-2-enylcyclopenta-1,3-diene;ruthenium;2,3,4,5-tetramethyl-1H-pyrrole

1-prop-2-enylcyclopenta-1,3-diene;ruthenium;2,3,4,5-tetramethyl-1H-pyrrole (PubChem CID 174567272) has the molecular formula C16H23NRu and a molecular weight of 330.44 g/mol. Its IUPAC name is 1-prop-2-enylcyclopenta-1,3-diene;ruthenium;2,3,4,5-tetramethyl-1H-pyrrole.

Molecular Properties

Compound Name1-prop-2-enylcyclopenta-1,3-diene;ruthenium;2,3,4,5-tetramethyl-1H-pyrrole
PubChem CID174567272
Molecular FormulaC16H23NRu
Molecular Weight330.44 g/mol
Exact Mass331.09
IUPAC Name1-prop-2-enylcyclopenta-1,3-diene;ruthenium;2,3,4,5-tetramethyl-1H-pyrrole
SMILESC=CCC1=CC=CC1.Cc1[nH]c(C)c(C)c1C.[Ru]
InChIInChI=1S/C8H13N.C8H10.Ru/c1-5-6(2)8(4)9-7(5)3;1-2-5-8-6-3-4-7-8;/h9H,1-4H3;2-4,6H,1,5,7H2;
InChIKeyTYPWDFLDCVKNRQ-UHFFFAOYSA-N
XLogP4.69
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.44
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-prop-2-enylcyclopenta-1,3-diene;ruthenium;2,3,4,5-tetramethyl-1H-pyrrole?
The IUPAC name of 1-prop-2-enylcyclopenta-1,3-diene;ruthenium;2,3,4,5-tetramethyl-1H-pyrrole (CID 174567272) is 1-prop-2-enylcyclopenta-1,3-diene;ruthenium;2,3,4,5-tetramethyl-1H-pyrrole.
What is the SMILES notation for 1-prop-2-enylcyclopenta-1,3-diene;ruthenium;2,3,4,5-tetramethyl-1H-pyrrole?
The canonical SMILES for 1-prop-2-enylcyclopenta-1,3-diene;ruthenium;2,3,4,5-tetramethyl-1H-pyrrole is C=CCC1=CC=CC1.Cc1[nH]c(C)c(C)c1C.[Ru].
What is the InChIKey of 1-prop-2-enylcyclopenta-1,3-diene;ruthenium;2,3,4,5-tetramethyl-1H-pyrrole?
The InChIKey is TYPWDFLDCVKNRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N.C8H10.Ru/c1-5-6(2)8(4)9-7(5)3;1-2-5-8-6-3-4-7-8;/h9H,1-4H3;2-4,6H,1,5,7H2;.
What are the key properties of 1-prop-2-enylcyclopenta-1,3-diene;ruthenium;2,3,4,5-tetramethyl-1H-pyrrole?
1-prop-2-enylcyclopenta-1,3-diene;ruthenium;2,3,4,5-tetramethyl-1H-pyrrole has a molecular weight of 330.44 g/mol, XLogP of 4.69, 2 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-prop-2-enylcyclopenta-1,3-diene;ruthenium;2,3,4,5-tetramethyl-1H-pyrrole is sourced from PubChem (CID 174567272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).