3-amino-7-iminooctan-2-one;bis(yttrium)

C8H16N2OY2 — CID 158490659

IUPAC3-amino-7-iminooctan-2-one;bis(yttrium)
SMILES[H]/N=C(\C)CCCC(N)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;;/b9-6+;;
InChIKeyHLHLYCKNMWNTRP-SWSRPJROSA-N
MW334.04 g/mol
LogP1.11
Rot. Bonds5

About 3-amino-7-iminooctan-2-one;bis(yttrium)

3-amino-7-iminooctan-2-one;bis(yttrium) (PubChem CID 158490659) has the molecular formula C8H16N2OY2 and a molecular weight of 334.04 g/mol. Its IUPAC name is 3-amino-7-iminooctan-2-one;bis(yttrium).

Molecular Properties

Compound Name3-amino-7-iminooctan-2-one;bis(yttrium)
PubChem CID158490659
Molecular FormulaC8H16N2OY2
Molecular Weight334.04 g/mol
Exact Mass333.94
IUPAC Name3-amino-7-iminooctan-2-one;bis(yttrium)
SMILES[H]/N=C(\C)CCCC(N)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;;/b9-6+;;
InChIKeyHLHLYCKNMWNTRP-SWSRPJROSA-N
XLogP1.11
TPSA66.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.04
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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 3-amino-7-iminooctan-2-one;bis(yttrium)?
The IUPAC name of 3-amino-7-iminooctan-2-one;bis(yttrium) (CID 158490659) is 3-amino-7-iminooctan-2-one;bis(yttrium).
What is the SMILES notation for 3-amino-7-iminooctan-2-one;bis(yttrium)?
The canonical SMILES for 3-amino-7-iminooctan-2-one;bis(yttrium) is [H]/N=C(\C)CCCC(N)C(C)=O.[Y].[Y].
What is the InChIKey of 3-amino-7-iminooctan-2-one;bis(yttrium)?
The InChIKey is HLHLYCKNMWNTRP-SWSRPJROSA-N. 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;;/b9-6+;;.
What are the key properties of 3-amino-7-iminooctan-2-one;bis(yttrium)?
3-amino-7-iminooctan-2-one;bis(yttrium) has a molecular weight of 334.04 g/mol, XLogP of 1.11, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-7-iminooctan-2-one;bis(yttrium) is sourced from PubChem (CID 158490659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).