carbanide;4-hydroxypent-3-en-2-one;(3E)-penta-1,3-diene;ruthenium(2+)

C12H22O2Ru — CID 159159319

IUPACcarbanide;4-hydroxypent-3-en-2-one;(3E)-penta-1,3-diene;ruthenium(2+)
SMILESC=C/C=C/C.CC(=O)C=C(C)O.[CH3-].[CH3-].[Ru+2]
InChIInChI=1S/C5H8O2.C5H8.2CH3.Ru/c1-4(6)3-5(2)7;1-3-5-4-2;;;/h3,6H,1-2H3;3-5H,1H2,2H3;2*1H3;/q;;2*-1;+2/b;5-4+;;;
InChIKeyZJEPHCVRKGFYSB-DBONNTBUSA-N
MW299.38 g/mol
LogP3.68
Rot. Bonds2

About carbanide;4-hydroxypent-3-en-2-one;(3E)-penta-1,3-diene;ruthenium(2+)

carbanide;4-hydroxypent-3-en-2-one;(3E)-penta-1,3-diene;ruthenium(2+) (PubChem CID 159159319) has the molecular formula C12H22O2Ru and a molecular weight of 299.38 g/mol. Its IUPAC name is carbanide;4-hydroxypent-3-en-2-one;(3E)-penta-1,3-diene;ruthenium(2+).

Molecular Properties

Compound Namecarbanide;4-hydroxypent-3-en-2-one;(3E)-penta-1,3-diene;ruthenium(2+)
PubChem CID159159319
Molecular FormulaC12H22O2Ru
Molecular Weight299.38 g/mol
Exact Mass300.07
IUPAC Namecarbanide;4-hydroxypent-3-en-2-one;(3E)-penta-1,3-diene;ruthenium(2+)
SMILESC=C/C=C/C.CC(=O)C=C(C)O.[CH3-].[CH3-].[Ru+2]
InChIInChI=1S/C5H8O2.C5H8.2CH3.Ru/c1-4(6)3-5(2)7;1-3-5-4-2;;;/h3,6H,1-2H3;3-5H,1H2,2H3;2*1H3;/q;;2*-1;+2/b;5-4+;;;
InChIKeyZJEPHCVRKGFYSB-DBONNTBUSA-N
XLogP3.68
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.38
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

copper;(Z)-4-hydroxypent-3-en-2-one;hydrate
CID 87530564
pentakis((Z)-4-hydroxypent-3-en-2-one);(E)-4-hydroxypent-3-en-2-one;iron
CID 176885193
acetyl chloride;penta-1,3-diene
CID 175604931
bis((Z)-4-hydroxypent-3-en-2-one);rhodium
CID 11358512
hafnium;tetrakis((Z)-4-hydroxypent-3-en-2-one)
CID 11330624
tris((Z)-4-hydroxypent-3-en-2-one);ruthenium
CID 5364023
tris(4-hydroxypent-3-en-2-one);thulium
CID 175647568
hafnium;tetrakis((E)-4-hydroxypent-3-en-2-one)
CID 53393529
cobalt;tris((E)-4-hydroxypent-3-en-2-one)
CID 11100361
CID 10892468
CID 10892468
CID 6826582
CID 6826582
4-hydroxypent-3-en-2-one;titanium
CID 162678859

Frequently Asked Questions

What is the IUPAC name of carbanide;4-hydroxypent-3-en-2-one;(3E)-penta-1,3-diene;ruthenium(2+)?
The IUPAC name of carbanide;4-hydroxypent-3-en-2-one;(3E)-penta-1,3-diene;ruthenium(2+) (CID 159159319) is carbanide;4-hydroxypent-3-en-2-one;(3E)-penta-1,3-diene;ruthenium(2+).
What is the SMILES notation for carbanide;4-hydroxypent-3-en-2-one;(3E)-penta-1,3-diene;ruthenium(2+)?
The canonical SMILES for carbanide;4-hydroxypent-3-en-2-one;(3E)-penta-1,3-diene;ruthenium(2+) is C=C/C=C/C.CC(=O)C=C(C)O.[CH3-].[CH3-].[Ru+2].
What is the InChIKey of carbanide;4-hydroxypent-3-en-2-one;(3E)-penta-1,3-diene;ruthenium(2+)?
The InChIKey is ZJEPHCVRKGFYSB-DBONNTBUSA-N. The full InChI is InChI=1S/C5H8O2.C5H8.2CH3.Ru/c1-4(6)3-5(2)7;1-3-5-4-2;;;/h3,6H,1-2H3;3-5H,1H2,2H3;2*1H3;/q;;2*-1;+2/b;5-4+;;;.
What are the key properties of carbanide;4-hydroxypent-3-en-2-one;(3E)-penta-1,3-diene;ruthenium(2+)?
carbanide;4-hydroxypent-3-en-2-one;(3E)-penta-1,3-diene;ruthenium(2+) has a molecular weight of 299.38 g/mol, XLogP of 3.68, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for carbanide;4-hydroxypent-3-en-2-one;(3E)-penta-1,3-diene;ruthenium(2+) is sourced from PubChem (CID 159159319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).