[(4-acetyl-1,4-diazepan-1-yl)-azanidylmethylidene]tungsten;yttrium

C8H14N3OWY- — CID 59143307

IUPAC[(4-acetyl-1,4-diazepan-1-yl)-azanidylmethylidene]tungsten;yttrium
SMILESCC(=O)N1CCCN(C([NH-])=[W])CC1.[Y]
InChIInChI=1S/C8H14N3O.W.Y/c1-8(12)11-4-2-3-10(7-9)5-6-11;;/h9H,2-6H2,1H3;;/q-1;;
InChIKeyWGBWRPIFBQCMCQ-UHFFFAOYSA-N
MW440.97 g/mol
LogP0.22
Rot. Bonds1

About [(4-acetyl-1,4-diazepan-1-yl)-azanidylmethylidene]tungsten;yttrium

[(4-acetyl-1,4-diazepan-1-yl)-azanidylmethylidene]tungsten;yttrium (PubChem CID 59143307) has the molecular formula C8H14N3OWY- and a molecular weight of 440.97 g/mol. Its IUPAC name is [(4-acetyl-1,4-diazepan-1-yl)-azanidylmethylidene]tungsten;yttrium.

Molecular Properties

Compound Name[(4-acetyl-1,4-diazepan-1-yl)-azanidylmethylidene]tungsten;yttrium
PubChem CID59143307
Molecular FormulaC8H14N3OWY-
Molecular Weight440.97 g/mol
Exact Mass440.97
IUPAC Name[(4-acetyl-1,4-diazepan-1-yl)-azanidylmethylidene]tungsten;yttrium
SMILESCC(=O)N1CCCN(C([NH-])=[W])CC1.[Y]
InChIInChI=1S/C8H14N3O.W.Y/c1-8(12)11-4-2-3-10(7-9)5-6-11;;/h9H,2-6H2,1H3;;/q-1;;
InChIKeyWGBWRPIFBQCMCQ-UHFFFAOYSA-N
XLogP0.22
TPSA47.35 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.97
LogP ≤ 50.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [(4-acetyl-1,4-diazepan-1-yl)-azanidylmethylidene]tungsten;yttrium?
The IUPAC name of [(4-acetyl-1,4-diazepan-1-yl)-azanidylmethylidene]tungsten;yttrium (CID 59143307) is [(4-acetyl-1,4-diazepan-1-yl)-azanidylmethylidene]tungsten;yttrium.
What is the SMILES notation for [(4-acetyl-1,4-diazepan-1-yl)-azanidylmethylidene]tungsten;yttrium?
The canonical SMILES for [(4-acetyl-1,4-diazepan-1-yl)-azanidylmethylidene]tungsten;yttrium is CC(=O)N1CCCN(C([NH-])=[W])CC1.[Y].
What is the InChIKey of [(4-acetyl-1,4-diazepan-1-yl)-azanidylmethylidene]tungsten;yttrium?
The InChIKey is WGBWRPIFBQCMCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N3O.W.Y/c1-8(12)11-4-2-3-10(7-9)5-6-11;;/h9H,2-6H2,1H3;;/q-1;;.
What are the key properties of [(4-acetyl-1,4-diazepan-1-yl)-azanidylmethylidene]tungsten;yttrium?
[(4-acetyl-1,4-diazepan-1-yl)-azanidylmethylidene]tungsten;yttrium has a molecular weight of 440.97 g/mol, XLogP of 0.22, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(4-acetyl-1,4-diazepan-1-yl)-azanidylmethylidene]tungsten;yttrium is sourced from PubChem (CID 59143307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).