1-[(4-ethenylphenyl)methyl]-1-methylurea

C11H14N2O — CID 91376596

IUPAC1-[(4-ethenylphenyl)methyl]-1-methylurea
SMILESC=Cc1ccc(CN(C)C(N)=O)cc1
InChIInChI=1S/C11H14N2O/c1-3-9-4-6-10(7-5-9)8-13(2)11(12)14/h3-7H,1,8H2,2H3,(H2,12,14)
InChIKeyQITXTDQCAOIIQG-UHFFFAOYSA-N
MW190.25 g/mol
LogP1.84
Rot. Bonds3

About 1-[(4-ethenylphenyl)methyl]-1-methylurea

1-[(4-ethenylphenyl)methyl]-1-methylurea (PubChem CID 91376596) has the molecular formula C11H14N2O and a molecular weight of 190.25 g/mol. Its IUPAC name is 1-[(4-ethenylphenyl)methyl]-1-methylurea.

Molecular Properties

Compound Name1-[(4-ethenylphenyl)methyl]-1-methylurea
PubChem CID91376596
Molecular FormulaC11H14N2O
Molecular Weight190.25 g/mol
Exact Mass190.11
IUPAC Name1-[(4-ethenylphenyl)methyl]-1-methylurea
SMILESC=Cc1ccc(CN(C)C(N)=O)cc1
InChIInChI=1S/C11H14N2O/c1-3-9-4-6-10(7-5-9)8-13(2)11(12)14/h3-7H,1,8H2,2H3,(H2,12,14)
InChIKeyQITXTDQCAOIIQG-UHFFFAOYSA-N
XLogP1.84
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.25
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 20593123
(4-ethenylphenyl)methanamine;2-methylprop-2-enamide;prop-2-enamide
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2-(4-ethenylphenyl)ethyl prop-2-enoate
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2-[2-[(4-ethenylphenyl)methyl-methylamino]ethyl]pentanedioic acid
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(4-ethenylphenyl)methyl 2-methylprop-2-enoate
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1-N-[(4-ethenylphenyl)methyl]-1-N-methyl-2-N,2-N,3-N,3-N-tetra(propan-2-yl)cyclopropane-1,2,3-triamine
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Frequently Asked Questions

What is the IUPAC name of 1-[(4-ethenylphenyl)methyl]-1-methylurea?
The IUPAC name of 1-[(4-ethenylphenyl)methyl]-1-methylurea (CID 91376596) is 1-[(4-ethenylphenyl)methyl]-1-methylurea.
What is the SMILES notation for 1-[(4-ethenylphenyl)methyl]-1-methylurea?
The canonical SMILES for 1-[(4-ethenylphenyl)methyl]-1-methylurea is C=Cc1ccc(CN(C)C(N)=O)cc1.
What is the InChIKey of 1-[(4-ethenylphenyl)methyl]-1-methylurea?
The InChIKey is QITXTDQCAOIIQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O/c1-3-9-4-6-10(7-5-9)8-13(2)11(12)14/h3-7H,1,8H2,2H3,(H2,12,14).
What are the key properties of 1-[(4-ethenylphenyl)methyl]-1-methylurea?
1-[(4-ethenylphenyl)methyl]-1-methylurea has a molecular weight of 190.25 g/mol, XLogP of 1.84, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-ethenylphenyl)methyl]-1-methylurea is sourced from PubChem (CID 91376596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).