carbanide;N-(3-methyl-1-oxobut-2-en-2-yl)acetamide;yttrium

C8H13NO2Y-2 — CID 58620272

IUPACcarbanide;N-(3-methyl-1-oxobut-2-en-2-yl)acetamide;yttrium
SMILESCC(=O)NC([C-]=O)=C(C)C.[CH3-].[Y]
InChIInChI=1S/C7H10NO2.CH3.Y/c1-5(2)7(4-9)8-6(3)10;;/h1-3H3,(H,8,10);1H3;/q2*-1;
InChIKeyIEYBURYWXZMQOA-UHFFFAOYSA-N
MW244.10 g/mol
LogP0.97
Rot. Bonds2

About carbanide;N-(3-methyl-1-oxobut-2-en-2-yl)acetamide;yttrium

carbanide;N-(3-methyl-1-oxobut-2-en-2-yl)acetamide;yttrium (PubChem CID 58620272) has the molecular formula C8H13NO2Y-2 and a molecular weight of 244.10 g/mol. Its IUPAC name is carbanide;N-(3-methyl-1-oxobut-2-en-2-yl)acetamide;yttrium.

Molecular Properties

Compound Namecarbanide;N-(3-methyl-1-oxobut-2-en-2-yl)acetamide;yttrium
PubChem CID58620272
Molecular FormulaC8H13NO2Y-2
Molecular Weight244.10 g/mol
Exact Mass244.00
IUPAC Namecarbanide;N-(3-methyl-1-oxobut-2-en-2-yl)acetamide;yttrium
SMILESCC(=O)NC([C-]=O)=C(C)C.[CH3-].[Y]
InChIInChI=1S/C7H10NO2.CH3.Y/c1-5(2)7(4-9)8-6(3)10;;/h1-3H3,(H,8,10);1H3;/q2*-1;
InChIKeyIEYBURYWXZMQOA-UHFFFAOYSA-N
XLogP0.97
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.10
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of carbanide;N-(3-methyl-1-oxobut-2-en-2-yl)acetamide;yttrium?
The IUPAC name of carbanide;N-(3-methyl-1-oxobut-2-en-2-yl)acetamide;yttrium (CID 58620272) is carbanide;N-(3-methyl-1-oxobut-2-en-2-yl)acetamide;yttrium.
What is the SMILES notation for carbanide;N-(3-methyl-1-oxobut-2-en-2-yl)acetamide;yttrium?
The canonical SMILES for carbanide;N-(3-methyl-1-oxobut-2-en-2-yl)acetamide;yttrium is CC(=O)NC([C-]=O)=C(C)C.[CH3-].[Y].
What is the InChIKey of carbanide;N-(3-methyl-1-oxobut-2-en-2-yl)acetamide;yttrium?
The InChIKey is IEYBURYWXZMQOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10NO2.CH3.Y/c1-5(2)7(4-9)8-6(3)10;;/h1-3H3,(H,8,10);1H3;/q2*-1;.
What are the key properties of carbanide;N-(3-methyl-1-oxobut-2-en-2-yl)acetamide;yttrium?
carbanide;N-(3-methyl-1-oxobut-2-en-2-yl)acetamide;yttrium has a molecular weight of 244.10 g/mol, XLogP of 0.97, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for carbanide;N-(3-methyl-1-oxobut-2-en-2-yl)acetamide;yttrium is sourced from PubChem (CID 58620272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).