ethanone;(methylaminomethylamino)methanone;yttrium

C9H16N2O4Y-4 — CID 147459243

IUPACethanone;(methylaminomethylamino)methanone;yttrium
SMILESCNCN[C-]=O.C[C-]=O.C[C-]=O.C[C-]=O.[Y]
InChIInChI=1S/C3H7N2O.3C2H3O.Y/c1-4-2-5-3-6;3*1-2-3;/h4H,2H2,1H3,(H,5,6);3*1H3;/q4*-1;
InChIKeyOPBMJNFLZFMHFT-UHFFFAOYSA-N
MW305.14 g/mol
LogP-0.83
Rot. Bonds3

About ethanone;(methylaminomethylamino)methanone;yttrium

ethanone;(methylaminomethylamino)methanone;yttrium (PubChem CID 147459243) has the molecular formula C9H16N2O4Y-4 and a molecular weight of 305.14 g/mol. Its IUPAC name is ethanone;(methylaminomethylamino)methanone;yttrium.

Molecular Properties

Compound Nameethanone;(methylaminomethylamino)methanone;yttrium
PubChem CID147459243
Molecular FormulaC9H16N2O4Y-4
Molecular Weight305.14 g/mol
Exact Mass305.02
IUPAC Nameethanone;(methylaminomethylamino)methanone;yttrium
SMILESCNCN[C-]=O.C[C-]=O.C[C-]=O.C[C-]=O.[Y]
InChIInChI=1S/C3H7N2O.3C2H3O.Y/c1-4-2-5-3-6;3*1-2-3;/h4H,2H2,1H3,(H,5,6);3*1H3;/q4*-1;
InChIKeyOPBMJNFLZFMHFT-UHFFFAOYSA-N
XLogP-0.83
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.14
LogP ≤ 5-0.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'enamine', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

hydroxymethanone;methane;oxomethoxymethanone;[(oxomethylamino)methylamino]methanone;tris(yttrium)
CID 161458653
potassium;ethanone;[2-(oxomethylamino)acetyl]azanide;tungsten;yttrium
CID 58639684
carbanide;ethylaminomethanone;tungsten(2+)
CID 21334677
chromium(3+);ethane;ethanone
CID 174976009
ethanone;lanthanum(3+)
CID 177438254
ethanone;zirconium
CID 158854782
ethanone;titanium
CID 71775225
ethanone;manganese(2+)
CID 23617191
azane;methyl 2-(methylamino)acetate
CID 87200278
ethanone;ruthenium(1+);hydrate
CID 158242584
N,N'-dimethylmethanediamine;methane
CID 158590867
ethanone;zirconium;tetrahydrochloride
CID 174366776

Frequently Asked Questions

What is the IUPAC name of ethanone;(methylaminomethylamino)methanone;yttrium?
The IUPAC name of ethanone;(methylaminomethylamino)methanone;yttrium (CID 147459243) is ethanone;(methylaminomethylamino)methanone;yttrium.
What is the SMILES notation for ethanone;(methylaminomethylamino)methanone;yttrium?
The canonical SMILES for ethanone;(methylaminomethylamino)methanone;yttrium is CNCN[C-]=O.C[C-]=O.C[C-]=O.C[C-]=O.[Y].
What is the InChIKey of ethanone;(methylaminomethylamino)methanone;yttrium?
The InChIKey is OPBMJNFLZFMHFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H7N2O.3C2H3O.Y/c1-4-2-5-3-6;3*1-2-3;/h4H,2H2,1H3,(H,5,6);3*1H3;/q4*-1;.
What are the key properties of ethanone;(methylaminomethylamino)methanone;yttrium?
ethanone;(methylaminomethylamino)methanone;yttrium has a molecular weight of 305.14 g/mol, XLogP of -0.83, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethanone;(methylaminomethylamino)methanone;yttrium is sourced from PubChem (CID 147459243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).