1-(4-methylphenyl)-3-[(E)-prop-1-enyl]urea

C11H14N2O — CID 108909389

IUPAC1-(4-methylphenyl)-3-[(E)-prop-1-enyl]urea
SMILESC/C=C/NC(=O)Nc1ccc(C)cc1
InChIInChI=1S/C11H14N2O/c1-3-8-12-11(14)13-10-6-4-9(2)5-7-10/h3-8H,1-2H3,(H2,12,13,14)/b8-3+
InChIKeyNZHQOKPCBPDLPH-FPYGCLRLSA-N
MW190.25 g/mol
LogP2.65
Rot. Bonds2

About 1-(4-methylphenyl)-3-[(E)-prop-1-enyl]urea

1-(4-methylphenyl)-3-[(E)-prop-1-enyl]urea (PubChem CID 108909389) has the molecular formula C11H14N2O and a molecular weight of 190.25 g/mol. Its IUPAC name is 1-(4-methylphenyl)-3-[(E)-prop-1-enyl]urea.

Molecular Properties

Compound Name1-(4-methylphenyl)-3-[(E)-prop-1-enyl]urea
PubChem CID108909389
Molecular FormulaC11H14N2O
Molecular Weight190.25 g/mol
Exact Mass190.11
IUPAC Name1-(4-methylphenyl)-3-[(E)-prop-1-enyl]urea
SMILESC/C=C/NC(=O)Nc1ccc(C)cc1
InChIInChI=1S/C11H14N2O/c1-3-8-12-11(14)13-10-6-4-9(2)5-7-10/h3-8H,1-2H3,(H2,12,13,14)/b8-3+
InChIKeyNZHQOKPCBPDLPH-FPYGCLRLSA-N
XLogP2.65
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.25
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

1-(4-propan-2-ylphenyl)-3-[(E)-prop-1-enyl]urea
CID 108909398
1-(2-hydroxy-4-methylphenyl)-3-[(E)-prop-1-enyl]urea
CID 108909666
1-[(E)-2-(4-bromophenyl)ethenyl]-3-(4-methylphenyl)urea
CID 108908655
1-(4-methylphenyl)-3-[(4-methylphenyl)carbamoylamino]urea
CID 54178073
1-[(E)-2-cyclohexylethenyl]-3-(4-methylphenyl)urea
CID 108911993
1-[2-(4-methylphenyl)ethyl]-3-[(E)-prop-1-enyl]urea
CID 108909730
1-(4-methylphenyl)-3-[(E)-pent-3-enyl]urea
CID 115629212
1-(3-fluorophenyl)-3-[(E)-prop-1-enyl]urea
CID 108909659
1-methyl-3-(4-methylphenyl)urea;molecular hydrogen
CID 142308386
N-(4-methylphenyl)acetamide
CID 7684
trimethyl-[(4-methylphenyl)carbamoylamino]azanium
CID 134109961
1-[4-(hydroxymethyl)phenyl]-3-(4-methylphenyl)urea
CID 64794146

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylphenyl)-3-[(E)-prop-1-enyl]urea?
The IUPAC name of 1-(4-methylphenyl)-3-[(E)-prop-1-enyl]urea (CID 108909389) is 1-(4-methylphenyl)-3-[(E)-prop-1-enyl]urea.
What is the SMILES notation for 1-(4-methylphenyl)-3-[(E)-prop-1-enyl]urea?
The canonical SMILES for 1-(4-methylphenyl)-3-[(E)-prop-1-enyl]urea is C/C=C/NC(=O)Nc1ccc(C)cc1.
What is the InChIKey of 1-(4-methylphenyl)-3-[(E)-prop-1-enyl]urea?
The InChIKey is NZHQOKPCBPDLPH-FPYGCLRLSA-N. The full InChI is InChI=1S/C11H14N2O/c1-3-8-12-11(14)13-10-6-4-9(2)5-7-10/h3-8H,1-2H3,(H2,12,13,14)/b8-3+.
What are the key properties of 1-(4-methylphenyl)-3-[(E)-prop-1-enyl]urea?
1-(4-methylphenyl)-3-[(E)-prop-1-enyl]urea has a molecular weight of 190.25 g/mol, XLogP of 2.65, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylphenyl)-3-[(E)-prop-1-enyl]urea is sourced from PubChem (CID 108909389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).