N-methyl-N-(3-oxobutan-2-yl)acetamide;yttrium

C7H12NO2Y- — CID 59349217

IUPACN-methyl-N-(3-oxobutan-2-yl)acetamide;yttrium
SMILESCC(=O)[C-](C)N(C)C(C)=O.[Y]
InChIInChI=1S/C7H12NO2.Y/c1-5(6(2)9)8(4)7(3)10;/h1-4H3;/q-1;
InChIKeyAWTJOAJCOMDQDF-UHFFFAOYSA-N
MW231.08 g/mol
LogP0.60
Rot. Bonds2

About N-methyl-N-(3-oxobutan-2-yl)acetamide;yttrium

N-methyl-N-(3-oxobutan-2-yl)acetamide;yttrium (PubChem CID 59349217) has the molecular formula C7H12NO2Y- and a molecular weight of 231.08 g/mol. Its IUPAC name is N-methyl-N-(3-oxobutan-2-yl)acetamide;yttrium.

Molecular Properties

Compound NameN-methyl-N-(3-oxobutan-2-yl)acetamide;yttrium
PubChem CID59349217
Molecular FormulaC7H12NO2Y-
Molecular Weight231.08 g/mol
Exact Mass230.99
IUPAC NameN-methyl-N-(3-oxobutan-2-yl)acetamide;yttrium
SMILESCC(=O)[C-](C)N(C)C(C)=O.[Y]
InChIInChI=1S/C7H12NO2.Y/c1-5(6(2)9)8(4)7(3)10;/h1-4H3;/q-1;
InChIKeyAWTJOAJCOMDQDF-UHFFFAOYSA-N
XLogP0.60
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.08
LogP ≤ 50.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

lithium;N,N-dimethylacetamide;chloride
CID 87129072
3-methylbutan-2-one;yttrium(3+)
CID 23390008
azane;N,N-dimethylacetamide
CID 161145572
carbanide;N,N-dimethylacetamide;ethane;phosphane;bis(yttrium)
CID 160573879
N,N-dimethylacetamide;formaldehyde
CID 54040691
N,N-dimethylacetamide;molecular iodine
CID 158534416
N,N-diacetyl-2-methylprop-2-enamide
CID 22336365
N',N'-bis[acetyl(methyl)amino]-N-methylacetohydrazide
CID 154092768
N-acetyl-N-methylacetamide;ethane;methane
CID 158491582
bis(N,N-dimethylacetamide);hydron;bromide;dihydrobromide
CID 173055527
N,N-dimethylacetamide;permanganic acid
CID 174571384
calcium;N,N-dimethylacetamide;diacetate
CID 175064438

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(3-oxobutan-2-yl)acetamide;yttrium?
The IUPAC name of N-methyl-N-(3-oxobutan-2-yl)acetamide;yttrium (CID 59349217) is N-methyl-N-(3-oxobutan-2-yl)acetamide;yttrium.
What is the SMILES notation for N-methyl-N-(3-oxobutan-2-yl)acetamide;yttrium?
The canonical SMILES for N-methyl-N-(3-oxobutan-2-yl)acetamide;yttrium is CC(=O)[C-](C)N(C)C(C)=O.[Y].
What is the InChIKey of N-methyl-N-(3-oxobutan-2-yl)acetamide;yttrium?
The InChIKey is AWTJOAJCOMDQDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12NO2.Y/c1-5(6(2)9)8(4)7(3)10;/h1-4H3;/q-1;.
What are the key properties of N-methyl-N-(3-oxobutan-2-yl)acetamide;yttrium?
N-methyl-N-(3-oxobutan-2-yl)acetamide;yttrium has a molecular weight of 231.08 g/mol, XLogP of 0.60, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(3-oxobutan-2-yl)acetamide;yttrium is sourced from PubChem (CID 59349217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).