1-methyl-1-(3-methylphenyl)urea

C9H12N2O — CID 3049067

IUPAC1-methyl-1-(3-methylphenyl)urea
SMILESCc1cccc(N(C)C(N)=O)c1
InChIInChI=1S/C9H12N2O/c1-7-4-3-5-8(6-7)11(2)9(10)12/h3-6H,1-2H3,(H2,10,12)
InChIKeyIRPUUOUNHVHZKX-UHFFFAOYSA-N
MW164.21 g/mol
LogP1.51
Rot. Bonds1

About 1-methyl-1-(3-methylphenyl)urea

1-methyl-1-(3-methylphenyl)urea (PubChem CID 3049067) has the molecular formula C9H12N2O and a molecular weight of 164.21 g/mol. Its IUPAC name is 1-methyl-1-(3-methylphenyl)urea.

Molecular Properties

Compound Name1-methyl-1-(3-methylphenyl)urea
PubChem CID3049067
Molecular FormulaC9H12N2O
Molecular Weight164.21 g/mol
Exact Mass164.09
IUPAC Name1-methyl-1-(3-methylphenyl)urea
SMILESCc1cccc(N(C)C(N)=O)c1
InChIInChI=1S/C9H12N2O/c1-7-4-3-5-8(6-7)11(2)9(10)12/h3-6H,1-2H3,(H2,10,12)
InChIKeyIRPUUOUNHVHZKX-UHFFFAOYSA-N
XLogP1.51
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.21
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-1-(3-methylphenyl)urea?
The IUPAC name of 1-methyl-1-(3-methylphenyl)urea (CID 3049067) is 1-methyl-1-(3-methylphenyl)urea.
What is the SMILES notation for 1-methyl-1-(3-methylphenyl)urea?
The canonical SMILES for 1-methyl-1-(3-methylphenyl)urea is Cc1cccc(N(C)C(N)=O)c1.
What is the InChIKey of 1-methyl-1-(3-methylphenyl)urea?
The InChIKey is IRPUUOUNHVHZKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O/c1-7-4-3-5-8(6-7)11(2)9(10)12/h3-6H,1-2H3,(H2,10,12).
What are the key properties of 1-methyl-1-(3-methylphenyl)urea?
1-methyl-1-(3-methylphenyl)urea has a molecular weight of 164.21 g/mol, XLogP of 1.51, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-1-(3-methylphenyl)urea is sourced from PubChem (CID 3049067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).