carbanide;1,3-dimethylurea;ethane;yttrium

C6H16N2OY-2 — CID 158351244

IUPACcarbanide;1,3-dimethylurea;ethane;yttrium
SMILESCNC(=O)NC.[CH2-]C.[CH3-].[Y]
InChIInChI=1S/C3H8N2O.C2H5.CH3.Y/c1-4-3(6)5-2;1-2;;/h1-2H3,(H2,4,5,6);1H2,2H3;1H3;/q;2*-1;
InChIKeyKSYPYSPGDYFFGR-UHFFFAOYSA-N
MW221.11 g/mol
LogP0.83
Rot. Bonds

About carbanide;1,3-dimethylurea;ethane;yttrium

carbanide;1,3-dimethylurea;ethane;yttrium (PubChem CID 158351244) has the molecular formula C6H16N2OY-2 and a molecular weight of 221.11 g/mol. Its IUPAC name is carbanide;1,3-dimethylurea;ethane;yttrium.

Molecular Properties

Compound Namecarbanide;1,3-dimethylurea;ethane;yttrium
PubChem CID158351244
Molecular FormulaC6H16N2OY-2
Molecular Weight221.11 g/mol
Exact Mass221.03
IUPAC Namecarbanide;1,3-dimethylurea;ethane;yttrium
SMILESCNC(=O)NC.[CH2-]C.[CH3-].[Y]
InChIInChI=1S/C3H8N2O.C2H5.CH3.Y/c1-4-3(6)5-2;1-2;;/h1-2H3,(H2,4,5,6);1H2,2H3;1H3;/q;2*-1;
InChIKeyKSYPYSPGDYFFGR-UHFFFAOYSA-N
XLogP0.83
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.11
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1,3-dimethylurea
CID 163366790
1,3-dimethylurea
CID 7293
1,3-dimethylurea;prop-1-ene
CID 160798014
carbanide;1-ethyl-3-methylurea;yttrium(3+)
CID 21019715
1-(1-aminoethyl)-3-methylurea
CID 89495208
1-methyl-3-silylurea
CID 174680275
acetic acid;carbanide;methane;N-methylacetamide;propan-2-one;bis(yttrium)
CID 159851547
1,3-dimethylurea;methane;S-methyl N-methylcarbamothioate
CID 162094080
1-methyl-3-methyliodanuidylurea
CID 147358367
methylcarbamoylazanide;yttrium
CID 59294756
1-(dimethylamino)-3-methylurea
CID 11819071
1-acetamido-3-methylurea
CID 22082406

Frequently Asked Questions

What is the IUPAC name of carbanide;1,3-dimethylurea;ethane;yttrium?
The IUPAC name of carbanide;1,3-dimethylurea;ethane;yttrium (CID 158351244) is carbanide;1,3-dimethylurea;ethane;yttrium.
What is the SMILES notation for carbanide;1,3-dimethylurea;ethane;yttrium?
The canonical SMILES for carbanide;1,3-dimethylurea;ethane;yttrium is CNC(=O)NC.[CH2-]C.[CH3-].[Y].
What is the InChIKey of carbanide;1,3-dimethylurea;ethane;yttrium?
The InChIKey is KSYPYSPGDYFFGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H8N2O.C2H5.CH3.Y/c1-4-3(6)5-2;1-2;;/h1-2H3,(H2,4,5,6);1H2,2H3;1H3;/q;2*-1;.
What are the key properties of carbanide;1,3-dimethylurea;ethane;yttrium?
carbanide;1,3-dimethylurea;ethane;yttrium has a molecular weight of 221.11 g/mol, XLogP of 0.83, 0 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for carbanide;1,3-dimethylurea;ethane;yttrium is sourced from PubChem (CID 158351244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).