3-ethenyl-1-methyl-1-phenylurea

C10H12N2O — CID 108909168

IUPAC3-ethenyl-1-methyl-1-phenylurea
SMILESC=CNC(=O)N(C)c1ccccc1
InChIInChI=1S/C10H12N2O/c1-3-11-10(13)12(2)9-7-5-4-6-8-9/h3-8H,1H2,2H3,(H,11,13)
InChIKeyWTCKWZRGVFXNKY-UHFFFAOYSA-N
MW176.22 g/mol
LogP1.98
Rot. Bonds2

About 3-ethenyl-1-methyl-1-phenylurea

3-ethenyl-1-methyl-1-phenylurea (PubChem CID 108909168) has the molecular formula C10H12N2O and a molecular weight of 176.22 g/mol. Its IUPAC name is 3-ethenyl-1-methyl-1-phenylurea.

Molecular Properties

Compound Name3-ethenyl-1-methyl-1-phenylurea
PubChem CID108909168
Molecular FormulaC10H12N2O
Molecular Weight176.22 g/mol
Exact Mass176.09
IUPAC Name3-ethenyl-1-methyl-1-phenylurea
SMILESC=CNC(=O)N(C)c1ccccc1
InChIInChI=1S/C10H12N2O/c1-3-11-10(13)12(2)9-7-5-4-6-8-9/h3-8H,1H2,2H3,(H,11,13)
InChIKeyWTCKWZRGVFXNKY-UHFFFAOYSA-N
XLogP1.98
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.22
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-methyl-3-(2-methylprop-1-enyl)-1-phenylurea
CID 108909905
1-methyl-3-[(E)-2-methylbut-1-enyl]-1-phenylurea
CID 108914323
formic acid;methyl(phenyl)carbamic acid
CID 161284118
1-methyl-3-nitroso-1-phenylurea
CID 21116436
1-(4-hydroxyphenyl)-1-methyl-3-[(E)-2-phenylethenyl]urea
CID 108903288
2-[[methyl(phenyl)carbamoyl]amino]propanoic acid
CID 61187226
3-[(E)-2-(3-bromophenyl)ethenyl]-1-methyl-1-phenylurea
CID 108906945
N-[methyl(phenyl)carbamoyl]furan-2-carboxamide
CID 110866312
2-(N-methylanilino)prop-2-enal
CID 88506227
3-(4-aminophenyl)-1-methyl-1-phenylurea
CID 43468906
ethane;N-[(3E)-hexa-1,3,5-trien-3-yl]-N-methylaniline
CID 144531022
N-methyl-N-phenylbuta-2,3-dienamide
CID 12773177

Frequently Asked Questions

What is the IUPAC name of 3-ethenyl-1-methyl-1-phenylurea?
The IUPAC name of 3-ethenyl-1-methyl-1-phenylurea (CID 108909168) is 3-ethenyl-1-methyl-1-phenylurea.
What is the SMILES notation for 3-ethenyl-1-methyl-1-phenylurea?
The canonical SMILES for 3-ethenyl-1-methyl-1-phenylurea is C=CNC(=O)N(C)c1ccccc1.
What is the InChIKey of 3-ethenyl-1-methyl-1-phenylurea?
The InChIKey is WTCKWZRGVFXNKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O/c1-3-11-10(13)12(2)9-7-5-4-6-8-9/h3-8H,1H2,2H3,(H,11,13).
What are the key properties of 3-ethenyl-1-methyl-1-phenylurea?
3-ethenyl-1-methyl-1-phenylurea has a molecular weight of 176.22 g/mol, XLogP of 1.98, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethenyl-1-methyl-1-phenylurea is sourced from PubChem (CID 108909168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).