3,4-dipropyl-1,2-dihydropyrrol-2-ide;ruthenium(1+)

C10H16NRu — CID 87512978

IUPAC3,4-dipropyl-1,2-dihydropyrrol-2-ide;ruthenium(1+)
SMILESCCCc1[c-][nH]cc1CCC.[Ru+]
InChIInChI=1S/C10H16N.Ru/c1-3-5-9-7-11-8-10(9)6-4-2;/h7,11H,3-6H2,1-2H3;/q-1;+1
InChIKeyHKSKKIGMRXIRHO-UHFFFAOYSA-N
MW251.31 g/mol
LogP2.72
Rot. Bonds4

About 3,4-dipropyl-1,2-dihydropyrrol-2-ide;ruthenium(1+)

3,4-dipropyl-1,2-dihydropyrrol-2-ide;ruthenium(1+) (PubChem CID 87512978) has the molecular formula C10H16NRu and a molecular weight of 251.31 g/mol. Its IUPAC name is 3,4-dipropyl-1,2-dihydropyrrol-2-ide;ruthenium(1+).

Molecular Properties

Compound Name3,4-dipropyl-1,2-dihydropyrrol-2-ide;ruthenium(1+)
PubChem CID87512978
Molecular FormulaC10H16NRu
Molecular Weight251.31 g/mol
Exact Mass252.03
IUPAC Name3,4-dipropyl-1,2-dihydropyrrol-2-ide;ruthenium(1+)
SMILESCCCc1[c-][nH]cc1CCC.[Ru+]
InChIInChI=1S/C10H16N.Ru/c1-3-5-9-7-11-8-10(9)6-4-2;/h7,11H,3-6H2,1-2H3;/q-1;+1
InChIKeyHKSKKIGMRXIRHO-UHFFFAOYSA-N
XLogP2.72
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.31
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3,4-dipropyl-1,2-dihydropyrrol-2-ide;ruthenium(1+)?
The IUPAC name of 3,4-dipropyl-1,2-dihydropyrrol-2-ide;ruthenium(1+) (CID 87512978) is 3,4-dipropyl-1,2-dihydropyrrol-2-ide;ruthenium(1+).
What is the SMILES notation for 3,4-dipropyl-1,2-dihydropyrrol-2-ide;ruthenium(1+)?
The canonical SMILES for 3,4-dipropyl-1,2-dihydropyrrol-2-ide;ruthenium(1+) is CCCc1[c-][nH]cc1CCC.[Ru+].
What is the InChIKey of 3,4-dipropyl-1,2-dihydropyrrol-2-ide;ruthenium(1+)?
The InChIKey is HKSKKIGMRXIRHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N.Ru/c1-3-5-9-7-11-8-10(9)6-4-2;/h7,11H,3-6H2,1-2H3;/q-1;+1.
What are the key properties of 3,4-dipropyl-1,2-dihydropyrrol-2-ide;ruthenium(1+)?
3,4-dipropyl-1,2-dihydropyrrol-2-ide;ruthenium(1+) has a molecular weight of 251.31 g/mol, XLogP of 2.72, 4 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dipropyl-1,2-dihydropyrrol-2-ide;ruthenium(1+) is sourced from PubChem (CID 87512978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).