[(2Z)-2-amino-3-(2-hydroxybutan-2-yl)hexa-2,4-dienylidene]tungsten;uranium(2+)

C10H14NOUW- — CID 59375177

IUPAC[(2Z)-2-amino-3-(2-hydroxybutan-2-yl)hexa-2,4-dienylidene]tungsten;uranium(2+)
SMILES[CH2-]CC([CH2-])(O)C(/C=[C-]/C)=C(\N)C=[W].[U+2]
InChIInChI=1S/C10H14NO.U.W/c1-5-7-9(8(3)11)10(4,12)6-2;;/h3,7,12H,2,4,6,11H2,1H3;;/q-3;+2;/b9-8-;;
InChIKeyKNLVGMKSPYRLFV-ULDSSAIZSA-N
MW586.10 g/mol
LogP0.72
Rot. Bonds4

About [(2Z)-2-amino-3-(2-hydroxybutan-2-yl)hexa-2,4-dienylidene]tungsten;uranium(2+)

[(2Z)-2-amino-3-(2-hydroxybutan-2-yl)hexa-2,4-dienylidene]tungsten;uranium(2+) (PubChem CID 59375177) has the molecular formula C10H14NOUW- and a molecular weight of 586.10 g/mol. Its IUPAC name is [(2Z)-2-amino-3-(2-hydroxybutan-2-yl)hexa-2,4-dienylidene]tungsten;uranium(2+).

Molecular Properties

Compound Name[(2Z)-2-amino-3-(2-hydroxybutan-2-yl)hexa-2,4-dienylidene]tungsten;uranium(2+)
PubChem CID59375177
Molecular FormulaC10H14NOUW-
Molecular Weight586.10 g/mol
Exact Mass586.11
IUPAC Name[(2Z)-2-amino-3-(2-hydroxybutan-2-yl)hexa-2,4-dienylidene]tungsten;uranium(2+)
SMILES[CH2-]CC([CH2-])(O)C(/C=[C-]/C)=C(\N)C=[W].[U+2]
InChIInChI=1S/C10H14NO.U.W/c1-5-7-9(8(3)11)10(4,12)6-2;;/h3,7,12H,2,4,6,11H2,1H3;;/q-3;+2;/b9-8-;;
InChIKeyKNLVGMKSPYRLFV-ULDSSAIZSA-N
XLogP0.72
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500586.10
LogP ≤ 50.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(2Z)-2-amino-3-(2-hydroxybutan-2-yl)hexa-2,4-dienylidene]tungsten;uranium(2+)?
The IUPAC name of [(2Z)-2-amino-3-(2-hydroxybutan-2-yl)hexa-2,4-dienylidene]tungsten;uranium(2+) (CID 59375177) is [(2Z)-2-amino-3-(2-hydroxybutan-2-yl)hexa-2,4-dienylidene]tungsten;uranium(2+).
What is the SMILES notation for [(2Z)-2-amino-3-(2-hydroxybutan-2-yl)hexa-2,4-dienylidene]tungsten;uranium(2+)?
The canonical SMILES for [(2Z)-2-amino-3-(2-hydroxybutan-2-yl)hexa-2,4-dienylidene]tungsten;uranium(2+) is [CH2-]CC([CH2-])(O)C(/C=[C-]/C)=C(\N)C=[W].[U+2].
What is the InChIKey of [(2Z)-2-amino-3-(2-hydroxybutan-2-yl)hexa-2,4-dienylidene]tungsten;uranium(2+)?
The InChIKey is KNLVGMKSPYRLFV-ULDSSAIZSA-N. The full InChI is InChI=1S/C10H14NO.U.W/c1-5-7-9(8(3)11)10(4,12)6-2;;/h3,7,12H,2,4,6,11H2,1H3;;/q-3;+2;/b9-8-;;.
What are the key properties of [(2Z)-2-amino-3-(2-hydroxybutan-2-yl)hexa-2,4-dienylidene]tungsten;uranium(2+)?
[(2Z)-2-amino-3-(2-hydroxybutan-2-yl)hexa-2,4-dienylidene]tungsten;uranium(2+) has a molecular weight of 586.10 g/mol, XLogP of 0.72, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2Z)-2-amino-3-(2-hydroxybutan-2-yl)hexa-2,4-dienylidene]tungsten;uranium(2+) is sourced from PubChem (CID 59375177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).