[2-(2-trimethylsilylethynyl)phenyl]urea

C12H16N2OSi — CID 11299239

IUPAC[2-(2-trimethylsilylethynyl)phenyl]urea
SMILESC[Si](C)(C)C#Cc1ccccc1NC(N)=O
InChIInChI=1S/C12H16N2OSi/c1-16(2,3)9-8-10-6-4-5-7-11(10)14-12(13)15/h4-7H,1-3H3,(H3,13,14,15)
InChIKeyWHPQUQHKLWDTDL-UHFFFAOYSA-N
MW232.36 g/mol
LogP2.41
Rot. Bonds1

About [2-(2-trimethylsilylethynyl)phenyl]urea

[2-(2-trimethylsilylethynyl)phenyl]urea (PubChem CID 11299239) has the molecular formula C12H16N2OSi and a molecular weight of 232.36 g/mol. Its IUPAC name is [2-(2-trimethylsilylethynyl)phenyl]urea.

Molecular Properties

Compound Name[2-(2-trimethylsilylethynyl)phenyl]urea
PubChem CID11299239
Molecular FormulaC12H16N2OSi
Molecular Weight232.36 g/mol
Exact Mass232.10
IUPAC Name[2-(2-trimethylsilylethynyl)phenyl]urea
SMILESC[Si](C)(C)C#Cc1ccccc1NC(N)=O
InChIInChI=1S/C12H16N2OSi/c1-16(2,3)9-8-10-6-4-5-7-11(10)14-12(13)15/h4-7H,1-3H3,(H3,13,14,15)
InChIKeyWHPQUQHKLWDTDL-UHFFFAOYSA-N
XLogP2.41
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.36
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2,2-diphenyl-N-[2-(2-trimethylsilylethynyl)phenyl]acetamide
CID 10738761
[2-(3-hydroxyprop-1-ynyl)phenyl]urea
CID 60803594
[2-[2-(2-chlorophenyl)ethynyl]phenyl]urea
CID 102421209
(2-cyanophenyl)urea
CID 13155570
[2-[2-[6-[2-[2-(carbamoylamino)phenyl]ethynyl]-4-(dimethylamino)-2-pyridinyl]ethynyl]phenyl]urea
CID 118565687
[2-[2-(4-methoxyphenyl)ethynyl]phenyl]urea
CID 102421213
tert-butyl N-[5-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]ethynyl]-2-(2-trimethylsilylethynyl)phenyl]carbamate
CID 135012268
3-amino-3-[2-(2-trimethylsilylethynyl)phenyl]propanamide
CID 170876009
N-[4-acetyl-2-(2-trimethylsilylethynyl)phenyl]acetamide
CID 141342772
ethyl N-[4-methyl-2-(2-trimethylsilylethynyl)phenyl]carbamate
CID 58475259
methyl 2-[[2-(2-trimethylsilylethynyl)anilino]methyl]-1,3-oxazole-4-carboxylate
CID 166350628
(2-methylphenyl)urea;phosphane
CID 175888509

Frequently Asked Questions

What is the IUPAC name of [2-(2-trimethylsilylethynyl)phenyl]urea?
The IUPAC name of [2-(2-trimethylsilylethynyl)phenyl]urea (CID 11299239) is [2-(2-trimethylsilylethynyl)phenyl]urea.
What is the SMILES notation for [2-(2-trimethylsilylethynyl)phenyl]urea?
The canonical SMILES for [2-(2-trimethylsilylethynyl)phenyl]urea is C[Si](C)(C)C#Cc1ccccc1NC(N)=O.
What is the InChIKey of [2-(2-trimethylsilylethynyl)phenyl]urea?
The InChIKey is WHPQUQHKLWDTDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2OSi/c1-16(2,3)9-8-10-6-4-5-7-11(10)14-12(13)15/h4-7H,1-3H3,(H3,13,14,15).
What are the key properties of [2-(2-trimethylsilylethynyl)phenyl]urea?
[2-(2-trimethylsilylethynyl)phenyl]urea has a molecular weight of 232.36 g/mol, XLogP of 2.41, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-trimethylsilylethynyl)phenyl]urea is sourced from PubChem (CID 11299239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).