bis((Z)-4-hydroxypent-3-en-2-one);(Z)-4-iminopent-2-en-2-ol;ruthenium

C15H25NO5Ru — CID 135514431

IUPACbis((Z)-4-hydroxypent-3-en-2-one);(Z)-4-iminopent-2-en-2-ol;ruthenium
SMILESCC(=O)/C=C(/C)O.CC(=O)/C=C(/C)O.[H]/N=C(C)/C=C(/C)O.[Ru]
InChIInChI=1S/C5H9NO.2C5H8O2.Ru/c3*1-4(6)3-5(2)7;/h3,6-7H,1-2H3;2*3,6H,1-2H3;/b5-3-,6-4+;2*4-3-;
InChIKeyNURDGNBNGIKLDK-FDCLRRHUSA-N
MW400.44 g/mol
LogP3.56
Rot. Bonds3

About bis((Z)-4-hydroxypent-3-en-2-one);(Z)-4-iminopent-2-en-2-ol;ruthenium

bis((Z)-4-hydroxypent-3-en-2-one);(Z)-4-iminopent-2-en-2-ol;ruthenium (PubChem CID 135514431) has the molecular formula C15H25NO5Ru and a molecular weight of 400.44 g/mol. Its IUPAC name is bis((Z)-4-hydroxypent-3-en-2-one);(Z)-4-iminopent-2-en-2-ol;ruthenium.

Molecular Properties

Compound Namebis((Z)-4-hydroxypent-3-en-2-one);(Z)-4-iminopent-2-en-2-ol;ruthenium
PubChem CID135514431
Molecular FormulaC15H25NO5Ru
Molecular Weight400.44 g/mol
Exact Mass401.08
IUPAC Namebis((Z)-4-hydroxypent-3-en-2-one);(Z)-4-iminopent-2-en-2-ol;ruthenium
SMILESCC(=O)/C=C(/C)O.CC(=O)/C=C(/C)O.[H]/N=C(C)/C=C(/C)O.[Ru]
InChIInChI=1S/C5H9NO.2C5H8O2.Ru/c3*1-4(6)3-5(2)7;/h3,6-7H,1-2H3;2*3,6H,1-2H3;/b5-3-,6-4+;2*4-3-;
InChIKeyNURDGNBNGIKLDK-FDCLRRHUSA-N
XLogP3.56
TPSA118.68 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.44
LogP ≤ 53.56
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(Z)-4-hydroxy-5-iminohex-3-en-2-one
CID 59237850
4-Hydroxy-5-iminohex-3-en-2-one
CID 72240777

Frequently Asked Questions

What is the IUPAC name of bis((Z)-4-hydroxypent-3-en-2-one);(Z)-4-iminopent-2-en-2-ol;ruthenium?
The IUPAC name of bis((Z)-4-hydroxypent-3-en-2-one);(Z)-4-iminopent-2-en-2-ol;ruthenium (CID 135514431) is bis((Z)-4-hydroxypent-3-en-2-one);(Z)-4-iminopent-2-en-2-ol;ruthenium.
What is the SMILES notation for bis((Z)-4-hydroxypent-3-en-2-one);(Z)-4-iminopent-2-en-2-ol;ruthenium?
The canonical SMILES for bis((Z)-4-hydroxypent-3-en-2-one);(Z)-4-iminopent-2-en-2-ol;ruthenium is CC(=O)/C=C(/C)O.CC(=O)/C=C(/C)O.[H]/N=C(C)/C=C(/C)O.[Ru].
What is the InChIKey of bis((Z)-4-hydroxypent-3-en-2-one);(Z)-4-iminopent-2-en-2-ol;ruthenium?
The InChIKey is NURDGNBNGIKLDK-FDCLRRHUSA-N. The full InChI is InChI=1S/C5H9NO.2C5H8O2.Ru/c3*1-4(6)3-5(2)7;/h3,6-7H,1-2H3;2*3,6H,1-2H3;/b5-3-,6-4+;2*4-3-;.
What are the key properties of bis((Z)-4-hydroxypent-3-en-2-one);(Z)-4-iminopent-2-en-2-ol;ruthenium?
bis((Z)-4-hydroxypent-3-en-2-one);(Z)-4-iminopent-2-en-2-ol;ruthenium has a molecular weight of 400.44 g/mol, XLogP of 3.56, 3 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for bis((Z)-4-hydroxypent-3-en-2-one);(Z)-4-iminopent-2-en-2-ol;ruthenium is sourced from PubChem (CID 135514431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).