cyclopenta-1,3-diene;2,3-dipropyl-1H-pyrrole;ruthenium

C15H23NRu — CID 174567261

IUPACcyclopenta-1,3-diene;2,3-dipropyl-1H-pyrrole;ruthenium
SMILESC1=CCC=C1.CCCc1cc[nH]c1CCC.[Ru]
InChIInChI=1S/C10H17N.C5H6.Ru/c1-3-5-9-7-8-11-10(9)6-4-2;1-2-4-5-3-1;/h7-8,11H,3-6H2,1-2H3;1-4H,5H2;
InChIKeySMBQZTCDAYRHFF-UHFFFAOYSA-N
MW318.43 g/mol
LogP4.42
Rot. Bonds4

About cyclopenta-1,3-diene;2,3-dipropyl-1H-pyrrole;ruthenium

cyclopenta-1,3-diene;2,3-dipropyl-1H-pyrrole;ruthenium (PubChem CID 174567261) has the molecular formula C15H23NRu and a molecular weight of 318.43 g/mol. Its IUPAC name is cyclopenta-1,3-diene;2,3-dipropyl-1H-pyrrole;ruthenium.

Molecular Properties

Compound Namecyclopenta-1,3-diene;2,3-dipropyl-1H-pyrrole;ruthenium
PubChem CID174567261
Molecular FormulaC15H23NRu
Molecular Weight318.43 g/mol
Exact Mass319.09
IUPAC Namecyclopenta-1,3-diene;2,3-dipropyl-1H-pyrrole;ruthenium
SMILESC1=CCC=C1.CCCc1cc[nH]c1CCC.[Ru]
InChIInChI=1S/C10H17N.C5H6.Ru/c1-3-5-9-7-8-11-10(9)6-4-2;1-2-4-5-3-1;/h7-8,11H,3-6H2,1-2H3;1-4H,5H2;
InChIKeySMBQZTCDAYRHFF-UHFFFAOYSA-N
XLogP4.42
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.43
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of cyclopenta-1,3-diene;2,3-dipropyl-1H-pyrrole;ruthenium?
The IUPAC name of cyclopenta-1,3-diene;2,3-dipropyl-1H-pyrrole;ruthenium (CID 174567261) is cyclopenta-1,3-diene;2,3-dipropyl-1H-pyrrole;ruthenium.
What is the SMILES notation for cyclopenta-1,3-diene;2,3-dipropyl-1H-pyrrole;ruthenium?
The canonical SMILES for cyclopenta-1,3-diene;2,3-dipropyl-1H-pyrrole;ruthenium is C1=CCC=C1.CCCc1cc[nH]c1CCC.[Ru].
What is the InChIKey of cyclopenta-1,3-diene;2,3-dipropyl-1H-pyrrole;ruthenium?
The InChIKey is SMBQZTCDAYRHFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N.C5H6.Ru/c1-3-5-9-7-8-11-10(9)6-4-2;1-2-4-5-3-1;/h7-8,11H,3-6H2,1-2H3;1-4H,5H2;.
What are the key properties of cyclopenta-1,3-diene;2,3-dipropyl-1H-pyrrole;ruthenium?
cyclopenta-1,3-diene;2,3-dipropyl-1H-pyrrole;ruthenium has a molecular weight of 318.43 g/mol, XLogP of 4.42, 4 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopenta-1,3-diene;2,3-dipropyl-1H-pyrrole;ruthenium is sourced from PubChem (CID 174567261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).