1-azidohexan-2-one;tungsten;yttrium

C6H10N3OWY- — CID 147124648

IUPAC1-azidohexan-2-one;tungsten;yttrium
SMILESC[CH-]CCC(=O)CN=[N+]=[N-].[W].[Y]
InChIInChI=1S/C6H10N3O.W.Y/c1-2-3-4-6(10)5-8-9-7;;/h2H,3-5H2,1H3;;/q-1;;
InChIKeyQKYARFDINDYBAL-UHFFFAOYSA-N
MW412.91 g/mol
LogP1.87
Rot. Bonds5

About 1-azidohexan-2-one;tungsten;yttrium

1-azidohexan-2-one;tungsten;yttrium (PubChem CID 147124648) has the molecular formula C6H10N3OWY- and a molecular weight of 412.91 g/mol. Its IUPAC name is 1-azidohexan-2-one;tungsten;yttrium.

Molecular Properties

Compound Name1-azidohexan-2-one;tungsten;yttrium
PubChem CID147124648
Molecular FormulaC6H10N3OWY-
Molecular Weight412.91 g/mol
Exact Mass412.94
IUPAC Name1-azidohexan-2-one;tungsten;yttrium
SMILESC[CH-]CCC(=O)CN=[N+]=[N-].[W].[Y]
InChIInChI=1S/C6H10N3O.W.Y/c1-2-3-4-6(10)5-8-9-7;;/h2H,3-5H2,1H3;;/q-1;;
InChIKeyQKYARFDINDYBAL-UHFFFAOYSA-N
XLogP1.87
TPSA65.83 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.91
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

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2,6-diamino-12-azido-7,11-dioxododecanoic acid
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2-azido-N,N-dipropylacetamide
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2-azido-N-(methylcarbamoyl)acetamide
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1-azido-3-phenylpropan-2-one
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16-azidohexadecan-2-one
CID 56624829
CID 162458828
CID 162458828
3-azido-2-oxopropanal
CID 54201527
14-azidotetradecane-2,5-dione
CID 135040428
1-azido-3-cyclohexylpropan-2-one
CID 58264431

Frequently Asked Questions

What is the IUPAC name of 1-azidohexan-2-one;tungsten;yttrium?
The IUPAC name of 1-azidohexan-2-one;tungsten;yttrium (CID 147124648) is 1-azidohexan-2-one;tungsten;yttrium.
What is the SMILES notation for 1-azidohexan-2-one;tungsten;yttrium?
The canonical SMILES for 1-azidohexan-2-one;tungsten;yttrium is C[CH-]CCC(=O)CN=[N+]=[N-].[W].[Y].
What is the InChIKey of 1-azidohexan-2-one;tungsten;yttrium?
The InChIKey is QKYARFDINDYBAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N3O.W.Y/c1-2-3-4-6(10)5-8-9-7;;/h2H,3-5H2,1H3;;/q-1;;.
What are the key properties of 1-azidohexan-2-one;tungsten;yttrium?
1-azidohexan-2-one;tungsten;yttrium has a molecular weight of 412.91 g/mol, XLogP of 1.87, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-azidohexan-2-one;tungsten;yttrium is sourced from PubChem (CID 147124648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).