1-methyl-3-silylurea

C2H8N2OSi — CID 174680275

IUPAC1-methyl-3-silylurea
SMILESCNC(=O)N[SiH3]
InChIInChI=1S/C2H8N2OSi/c1-3-2(5)4-6/h1,6H3,(H2,3,4,5)
InChIKeyOLKJOBXYWKATEG-UHFFFAOYSA-N
MW104.18 g/mol
LogP-1.80
Rot. Bonds

About 1-methyl-3-silylurea

1-methyl-3-silylurea (PubChem CID 174680275) has the molecular formula C2H8N2OSi and a molecular weight of 104.18 g/mol. Its IUPAC name is 1-methyl-3-silylurea.

Molecular Properties

Compound Name1-methyl-3-silylurea
PubChem CID174680275
Molecular FormulaC2H8N2OSi
Molecular Weight104.18 g/mol
Exact Mass104.04
IUPAC Name1-methyl-3-silylurea
SMILESCNC(=O)N[SiH3]
InChIInChI=1S/C2H8N2OSi/c1-3-2(5)4-6/h1,6H3,(H2,3,4,5)
InChIKeyOLKJOBXYWKATEG-UHFFFAOYSA-N
XLogP-1.80
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500104.18
LogP ≤ 5-1.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1,3-dimethylurea
CID 163366790
1,3-dimethylurea
CID 7293
carbanide;1,3-dimethylurea;ethane;yttrium
CID 158351244
1-methyl-3-methyliodanuidylurea
CID 147358367
1,3-dimethylurea;prop-1-ene
CID 160798014
1-(dimethylamino)-3-methylurea
CID 11819071
1-acetamido-3-methylurea
CID 22082406
1-methyl-3-(methylcarbamoylimino)urea
CID 54078359
N,N'-di((113C)methyl)oxamide
CID 169438737
1-(1-aminoethyl)-3-methylurea
CID 89495208
N-(methylcarbamoylcarbamoylcarbamoyl)acetamide
CID 137435335
1-methyl-3-(3-methylbutan-2-yl)urea
CID 115575176

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-silylurea?
The IUPAC name of 1-methyl-3-silylurea (CID 174680275) is 1-methyl-3-silylurea.
What is the SMILES notation for 1-methyl-3-silylurea?
The canonical SMILES for 1-methyl-3-silylurea is CNC(=O)N[SiH3].
What is the InChIKey of 1-methyl-3-silylurea?
The InChIKey is OLKJOBXYWKATEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H8N2OSi/c1-3-2(5)4-6/h1,6H3,(H2,3,4,5).
What are the key properties of 1-methyl-3-silylurea?
1-methyl-3-silylurea has a molecular weight of 104.18 g/mol, XLogP of -1.80, 0 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-silylurea is sourced from PubChem (CID 174680275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).