dimethylazanide;[(E)-2-methylbut-2-enoyl]azanide;yttrium(3+)

C7H14N2OY+ — CID 22942575

IUPACdimethylazanide;[(E)-2-methylbut-2-enoyl]azanide;yttrium(3+)
SMILESC/C=C(\C)C([NH-])=O.C[N-]C.[Y+3]
InChIInChI=1S/C5H9NO.C2H6N.Y/c1-3-4(2)5(6)7;1-3-2;/h3H,1-2H3,(H2,6,7);1-2H3;/q;-1;+3/p-1/b4-3+;;
InChIKeyRHBDRIZXOZAXRM-CZEFNJPISA-M
MW231.11 g/mol
LogP2.15
Rot. Bonds1

About dimethylazanide;[(E)-2-methylbut-2-enoyl]azanide;yttrium(3+)

dimethylazanide;[(E)-2-methylbut-2-enoyl]azanide;yttrium(3+) (PubChem CID 22942575) has the molecular formula C7H14N2OY+ and a molecular weight of 231.11 g/mol. Its IUPAC name is dimethylazanide;[(E)-2-methylbut-2-enoyl]azanide;yttrium(3+).

Molecular Properties

Compound Namedimethylazanide;[(E)-2-methylbut-2-enoyl]azanide;yttrium(3+)
PubChem CID22942575
Molecular FormulaC7H14N2OY+
Molecular Weight231.11 g/mol
Exact Mass231.02
IUPAC Namedimethylazanide;[(E)-2-methylbut-2-enoyl]azanide;yttrium(3+)
SMILESC/C=C(\C)C([NH-])=O.C[N-]C.[Y+3]
InChIInChI=1S/C5H9NO.C2H6N.Y/c1-3-4(2)5(6)7;1-3-2;/h3H,1-2H3,(H2,6,7);1-2H3;/q;-1;+3/p-1/b4-3+;;
InChIKeyRHBDRIZXOZAXRM-CZEFNJPISA-M
XLogP2.15
TPSA54.97 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.11
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of dimethylazanide;[(E)-2-methylbut-2-enoyl]azanide;yttrium(3+)?
The IUPAC name of dimethylazanide;[(E)-2-methylbut-2-enoyl]azanide;yttrium(3+) (CID 22942575) is dimethylazanide;[(E)-2-methylbut-2-enoyl]azanide;yttrium(3+).
What is the SMILES notation for dimethylazanide;[(E)-2-methylbut-2-enoyl]azanide;yttrium(3+)?
The canonical SMILES for dimethylazanide;[(E)-2-methylbut-2-enoyl]azanide;yttrium(3+) is C/C=C(\C)C([NH-])=O.C[N-]C.[Y+3].
What is the InChIKey of dimethylazanide;[(E)-2-methylbut-2-enoyl]azanide;yttrium(3+)?
The InChIKey is RHBDRIZXOZAXRM-CZEFNJPISA-M. The full InChI is InChI=1S/C5H9NO.C2H6N.Y/c1-3-4(2)5(6)7;1-3-2;/h3H,1-2H3,(H2,6,7);1-2H3;/q;-1;+3/p-1/b4-3+;;.
What are the key properties of dimethylazanide;[(E)-2-methylbut-2-enoyl]azanide;yttrium(3+)?
dimethylazanide;[(E)-2-methylbut-2-enoyl]azanide;yttrium(3+) has a molecular weight of 231.11 g/mol, XLogP of 2.15, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for dimethylazanide;[(E)-2-methylbut-2-enoyl]azanide;yttrium(3+) is sourced from PubChem (CID 22942575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).