2-(2-oxo-1-phenylcyclopentyl)ethenylideneruthenium(1+)

C13H12ORu+ — CID 139255765

IUPAC2-(2-oxo-1-phenylcyclopentyl)ethenylideneruthenium(1+)
SMILESO=C1CCCC1(C=C=[Ru+])c1ccccc1
InChIInChI=1S/C13H12O.Ru/c1-2-13(10-6-9-12(13)14)11-7-4-3-5-8-11;/h2-5,7-8H,6,9-10H2;/q;+1
InChIKeyJMFUIOLSLAHRTQ-UHFFFAOYSA-N
MW285.31 g/mol
LogP2.18
Rot. Bonds2

About 2-(2-oxo-1-phenylcyclopentyl)ethenylideneruthenium(1+)

2-(2-oxo-1-phenylcyclopentyl)ethenylideneruthenium(1+) (PubChem CID 139255765) has the molecular formula C13H12ORu+ and a molecular weight of 285.31 g/mol. Its IUPAC name is 2-(2-oxo-1-phenylcyclopentyl)ethenylideneruthenium(1+).

Molecular Properties

Compound Name2-(2-oxo-1-phenylcyclopentyl)ethenylideneruthenium(1+)
PubChem CID139255765
Molecular FormulaC13H12ORu+
Molecular Weight285.31 g/mol
Exact Mass285.99
IUPAC Name2-(2-oxo-1-phenylcyclopentyl)ethenylideneruthenium(1+)
SMILESO=C1CCCC1(C=C=[Ru+])c1ccccc1
InChIInChI=1S/C13H12O.Ru/c1-2-13(10-6-9-12(13)14)11-7-4-3-5-8-11;/h2-5,7-8H,6,9-10H2;/q;+1
InChIKeyJMFUIOLSLAHRTQ-UHFFFAOYSA-N
XLogP2.18
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.31
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(2S)-2-hydroxy-2-phenylcyclopentan-1-one
CID 101445109
(2S)-2-(chloromethyl)-2-phenylcyclopentan-1-one
CID 102230862
(2R)-2-(methylamino)-2-phenylcyclohexan-1-one
CID 94478337
2-(methylamino)-2-phenylcyclohexan-1-one;hydrochloride
CID 18705340
2-phenyl-2-(2,2,2-trifluoroethyl)cyclopentan-1-one
CID 122215213
2-(bromomethyl)-2-phenylcyclotridecan-1-one
CID 132609011
6,6-diphenyloxan-2-one
CID 14144368
(2R)-2-hydroxy-2-(2-phenylethynyl)cyclopentan-1-one
CID 158919384
(2S)-2-(furan-2-yl)-2-[(E)-prop-1-enyl]cyclopentan-1-one
CID 132563212
(2R)-2-(azidomethyl)-2-phenylcyclopentan-1-one
CID 102230871
(2R)-2-(3-hydroxyphenyl)-2-(methyliminomethyl)cyclohexan-1-one
CID 156552331
(6R)-6-methyl-6-phenyloxan-2-one
CID 100971522

Frequently Asked Questions

What is the IUPAC name of 2-(2-oxo-1-phenylcyclopentyl)ethenylideneruthenium(1+)?
The IUPAC name of 2-(2-oxo-1-phenylcyclopentyl)ethenylideneruthenium(1+) (CID 139255765) is 2-(2-oxo-1-phenylcyclopentyl)ethenylideneruthenium(1+).
What is the SMILES notation for 2-(2-oxo-1-phenylcyclopentyl)ethenylideneruthenium(1+)?
The canonical SMILES for 2-(2-oxo-1-phenylcyclopentyl)ethenylideneruthenium(1+) is O=C1CCCC1(C=C=[Ru+])c1ccccc1.
What is the InChIKey of 2-(2-oxo-1-phenylcyclopentyl)ethenylideneruthenium(1+)?
The InChIKey is JMFUIOLSLAHRTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12O.Ru/c1-2-13(10-6-9-12(13)14)11-7-4-3-5-8-11;/h2-5,7-8H,6,9-10H2;/q;+1.
What are the key properties of 2-(2-oxo-1-phenylcyclopentyl)ethenylideneruthenium(1+)?
2-(2-oxo-1-phenylcyclopentyl)ethenylideneruthenium(1+) has a molecular weight of 285.31 g/mol, XLogP of 2.18, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-oxo-1-phenylcyclopentyl)ethenylideneruthenium(1+) is sourced from PubChem (CID 139255765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).