carbanide;1-ethyl-3-methylurea;yttrium(3+)

C5H12N2OY+ — CID 21019715

IUPACcarbanide;1-ethyl-3-methylurea;yttrium(3+)
SMILES[CH2-]CNC(=O)NC.[CH3-].[Y+3]
InChIInChI=1S/C4H9N2O.CH3.Y/c1-3-6-4(7)5-2;;/h1,3H2,2H3,(H2,5,6,7);1H3;/q2*-1;+3
InChIKeyWTAPFFGQEATROE-UHFFFAOYSA-N
MW205.07 g/mol
LogP0.20
Rot. Bonds1

About carbanide;1-ethyl-3-methylurea;yttrium(3+)

carbanide;1-ethyl-3-methylurea;yttrium(3+) (PubChem CID 21019715) has the molecular formula C5H12N2OY+ and a molecular weight of 205.07 g/mol. Its IUPAC name is carbanide;1-ethyl-3-methylurea;yttrium(3+).

Molecular Properties

Compound Namecarbanide;1-ethyl-3-methylurea;yttrium(3+)
PubChem CID21019715
Molecular FormulaC5H12N2OY+
Molecular Weight205.07 g/mol
Exact Mass205.00
IUPAC Namecarbanide;1-ethyl-3-methylurea;yttrium(3+)
SMILES[CH2-]CNC(=O)NC.[CH3-].[Y+3]
InChIInChI=1S/C4H9N2O.CH3.Y/c1-3-6-4(7)5-2;;/h1,3H2,2H3,(H2,5,6,7);1H3;/q2*-1;+3
InChIKeyWTAPFFGQEATROE-UHFFFAOYSA-N
XLogP0.20
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.07
LogP ≤ 50.20
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

carbanide;1,3-dimethylurea;ethane;yttrium
CID 158351244
1,3-dimethylurea
CID 163366790
1,3-dimethylurea
CID 7293
1-methyl-3-[2-(methylamino)ethyl]urea
CID 22381232
1-[2-(1-aminoethylideneamino)ethyl]-3-methylurea
CID 130944218
1-methyl-3-(methylsulfonylmethyl)urea
CID 168786695
CID 59151849
CID 59151849
1-butyl-3-methylurea;hydrochloride
CID 20501295
1-methyl-3-[3-(methylamino)-2,2-bis(methylaminomethyl)propyl]urea
CID 22381440
trimethyl-[2-(methylcarbamoylamino)ethyl]azanium
CID 13379058
2-(methylamino)-N-[2-(methylcarbamoylamino)ethyl]acetamide
CID 146415919
1-[(cyanoamino)methyl]-3-methylurea
CID 146416356

Frequently Asked Questions

What is the IUPAC name of carbanide;1-ethyl-3-methylurea;yttrium(3+)?
The IUPAC name of carbanide;1-ethyl-3-methylurea;yttrium(3+) (CID 21019715) is carbanide;1-ethyl-3-methylurea;yttrium(3+).
What is the SMILES notation for carbanide;1-ethyl-3-methylurea;yttrium(3+)?
The canonical SMILES for carbanide;1-ethyl-3-methylurea;yttrium(3+) is [CH2-]CNC(=O)NC.[CH3-].[Y+3].
What is the InChIKey of carbanide;1-ethyl-3-methylurea;yttrium(3+)?
The InChIKey is WTAPFFGQEATROE-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9N2O.CH3.Y/c1-3-6-4(7)5-2;;/h1,3H2,2H3,(H2,5,6,7);1H3;/q2*-1;+3.
What are the key properties of carbanide;1-ethyl-3-methylurea;yttrium(3+)?
carbanide;1-ethyl-3-methylurea;yttrium(3+) has a molecular weight of 205.07 g/mol, XLogP of 0.20, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for carbanide;1-ethyl-3-methylurea;yttrium(3+) is sourced from PubChem (CID 21019715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).