acetohydrazide;4-methanidyl-2,2,6,6-tetramethylheptan-3-one;yttrium

C14H28N2O2Y-2 — CID 147999575

IUPACacetohydrazide;4-methanidyl-2,2,6,6-tetramethylheptan-3-one;yttrium
SMILES[CH2-]C(=O)NN.[CH2-]C(CC(C)(C)C)C(=O)C(C)(C)C.[Y]
InChIInChI=1S/C12H23O.C2H5N2O.Y/c1-9(8-11(2,3)4)10(13)12(5,6)7;1-2(5)4-3;/h9H,1,8H2,2-7H3;1,3H2,(H,4,5);/q2*-1;
InChIKeyQMGKUYYEIIXMFG-UHFFFAOYSA-N
MW345.30 g/mol
LogP2.30
Rot. Bonds2

About acetohydrazide;4-methanidyl-2,2,6,6-tetramethylheptan-3-one;yttrium

acetohydrazide;4-methanidyl-2,2,6,6-tetramethylheptan-3-one;yttrium (PubChem CID 147999575) has the molecular formula C14H28N2O2Y-2 and a molecular weight of 345.30 g/mol. Its IUPAC name is acetohydrazide;4-methanidyl-2,2,6,6-tetramethylheptan-3-one;yttrium.

Molecular Properties

Compound Nameacetohydrazide;4-methanidyl-2,2,6,6-tetramethylheptan-3-one;yttrium
PubChem CID147999575
Molecular FormulaC14H28N2O2Y-2
Molecular Weight345.30 g/mol
Exact Mass345.12
IUPAC Nameacetohydrazide;4-methanidyl-2,2,6,6-tetramethylheptan-3-one;yttrium
SMILES[CH2-]C(=O)NN.[CH2-]C(CC(C)(C)C)C(=O)C(C)(C)C.[Y]
InChIInChI=1S/C12H23O.C2H5N2O.Y/c1-9(8-11(2,3)4)10(13)12(5,6)7;1-2(5)4-3;/h9H,1,8H2,2-7H3;1,3H2,(H,4,5);/q2*-1;
InChIKeyQMGKUYYEIIXMFG-UHFFFAOYSA-N
XLogP2.30
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.30
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of acetohydrazide;4-methanidyl-2,2,6,6-tetramethylheptan-3-one;yttrium?
The IUPAC name of acetohydrazide;4-methanidyl-2,2,6,6-tetramethylheptan-3-one;yttrium (CID 147999575) is acetohydrazide;4-methanidyl-2,2,6,6-tetramethylheptan-3-one;yttrium.
What is the SMILES notation for acetohydrazide;4-methanidyl-2,2,6,6-tetramethylheptan-3-one;yttrium?
The canonical SMILES for acetohydrazide;4-methanidyl-2,2,6,6-tetramethylheptan-3-one;yttrium is [CH2-]C(=O)NN.[CH2-]C(CC(C)(C)C)C(=O)C(C)(C)C.[Y].
What is the InChIKey of acetohydrazide;4-methanidyl-2,2,6,6-tetramethylheptan-3-one;yttrium?
The InChIKey is QMGKUYYEIIXMFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23O.C2H5N2O.Y/c1-9(8-11(2,3)4)10(13)12(5,6)7;1-2(5)4-3;/h9H,1,8H2,2-7H3;1,3H2,(H,4,5);/q2*-1;.
What are the key properties of acetohydrazide;4-methanidyl-2,2,6,6-tetramethylheptan-3-one;yttrium?
acetohydrazide;4-methanidyl-2,2,6,6-tetramethylheptan-3-one;yttrium has a molecular weight of 345.30 g/mol, XLogP of 2.30, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for acetohydrazide;4-methanidyl-2,2,6,6-tetramethylheptan-3-one;yttrium is sourced from PubChem (CID 147999575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).