(7-azaniumylidene-2-oxooctan-3-yl)azanium;bis(yttrium)

C8H18N2OY2+2 — CID 158490661

IUPAC(7-azaniumylidene-2-oxooctan-3-yl)azanium;bis(yttrium)
SMILESCC(=[NH2+])CCCC([NH3+])C(C)=O.[Y].[Y]
InChIInChI=1S/C8H16N2O.2Y/c1-6(9)4-3-5-8(10)7(2)11;;/h8-9H,3-5,10H2,1-2H3;;/p+2
InChIKeyHLHLYCKNMWNTRP-UHFFFAOYSA-P
MW336.06 g/mol
LogP-1.43
Rot. Bonds5

About (7-azaniumylidene-2-oxooctan-3-yl)azanium;bis(yttrium)

(7-azaniumylidene-2-oxooctan-3-yl)azanium;bis(yttrium) (PubChem CID 158490661) has the molecular formula C8H18N2OY2+2 and a molecular weight of 336.06 g/mol. Its IUPAC name is (7-azaniumylidene-2-oxooctan-3-yl)azanium;bis(yttrium).

Molecular Properties

Compound Name(7-azaniumylidene-2-oxooctan-3-yl)azanium;bis(yttrium)
PubChem CID158490661
Molecular FormulaC8H18N2OY2+2
Molecular Weight336.06 g/mol
Exact Mass335.95
IUPAC Name(7-azaniumylidene-2-oxooctan-3-yl)azanium;bis(yttrium)
SMILESCC(=[NH2+])CCCC([NH3+])C(C)=O.[Y].[Y]
InChIInChI=1S/C8H16N2O.2Y/c1-6(9)4-3-5-8(10)7(2)11;;/h8-9H,3-5,10H2,1-2H3;;/p+2
InChIKeyHLHLYCKNMWNTRP-UHFFFAOYSA-P
XLogP-1.43
TPSA70.30 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.06
LogP ≤ 5-1.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (7-azaniumylidene-2-oxooctan-3-yl)azanium;bis(yttrium)?
The IUPAC name of (7-azaniumylidene-2-oxooctan-3-yl)azanium;bis(yttrium) (CID 158490661) is (7-azaniumylidene-2-oxooctan-3-yl)azanium;bis(yttrium).
What is the SMILES notation for (7-azaniumylidene-2-oxooctan-3-yl)azanium;bis(yttrium)?
The canonical SMILES for (7-azaniumylidene-2-oxooctan-3-yl)azanium;bis(yttrium) is CC(=[NH2+])CCCC([NH3+])C(C)=O.[Y].[Y].
What is the InChIKey of (7-azaniumylidene-2-oxooctan-3-yl)azanium;bis(yttrium)?
The InChIKey is HLHLYCKNMWNTRP-UHFFFAOYSA-P. The full InChI is InChI=1S/C8H16N2O.2Y/c1-6(9)4-3-5-8(10)7(2)11;;/h8-9H,3-5,10H2,1-2H3;;/p+2.
What are the key properties of (7-azaniumylidene-2-oxooctan-3-yl)azanium;bis(yttrium)?
(7-azaniumylidene-2-oxooctan-3-yl)azanium;bis(yttrium) has a molecular weight of 336.06 g/mol, XLogP of -1.43, 5 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (7-azaniumylidene-2-oxooctan-3-yl)azanium;bis(yttrium) is sourced from PubChem (CID 158490661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).