1-[(E)-2-cyclopropylethenyl]-3-(2,4,6-trimethylphenyl)urea

C15H20N2O — CID 108915759

IUPAC1-[(E)-2-cyclopropylethenyl]-3-(2,4,6-trimethylphenyl)urea
SMILESCc1cc(C)c(NC(=O)N/C=C/C2CC2)c(C)c1
InChIInChI=1S/C15H20N2O/c1-10-8-11(2)14(12(3)9-10)17-15(18)16-7-6-13-4-5-13/h6-9,13H,4-5H2,1-3H3,(H2,16,17,18)/b7-6+
InChIKeyVWCYXPLANCHVEQ-VOTSOKGWSA-N
MW244.34 g/mol
LogP3.66
Rot. Bonds3

About 1-[(E)-2-cyclopropylethenyl]-3-(2,4,6-trimethylphenyl)urea

1-[(E)-2-cyclopropylethenyl]-3-(2,4,6-trimethylphenyl)urea (PubChem CID 108915759) has the molecular formula C15H20N2O and a molecular weight of 244.34 g/mol. Its IUPAC name is 1-[(E)-2-cyclopropylethenyl]-3-(2,4,6-trimethylphenyl)urea.

Molecular Properties

Compound Name1-[(E)-2-cyclopropylethenyl]-3-(2,4,6-trimethylphenyl)urea
PubChem CID108915759
Molecular FormulaC15H20N2O
Molecular Weight244.34 g/mol
Exact Mass244.16
IUPAC Name1-[(E)-2-cyclopropylethenyl]-3-(2,4,6-trimethylphenyl)urea
SMILESCc1cc(C)c(NC(=O)N/C=C/C2CC2)c(C)c1
InChIInChI=1S/C15H20N2O/c1-10-8-11(2)14(12(3)9-10)17-15(18)16-7-6-13-4-5-13/h6-9,13H,4-5H2,1-3H3,(H2,16,17,18)/b7-6+
InChIKeyVWCYXPLANCHVEQ-VOTSOKGWSA-N
XLogP3.66
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

1-[(E)-2-cyclopentylethenyl]-3-(2,4,6-trimethylphenyl)urea
CID 108911711
1-[(E)-3,3-dimethylbut-1-enyl]-3-(2,4,6-trimethylphenyl)urea
CID 108911338
1-(2-bromo-4-methylphenyl)-3-[(E)-2-cyclopropylethenyl]urea
CID 108915966
1-(cyclopentylidenemethyl)-3-(2,4,6-trimethylphenyl)urea
CID 108913521
1-[(E)-2-cyclohexylethenyl]-3-(4-methylphenyl)urea
CID 108911993
1-cycloheptyl-3-(2,4,6-trimethylphenyl)urea
CID 47132646
1-[(E)-2-cyclohexylethenyl]-3-(4-methyl-2-pyridinyl)urea
CID 108912290
1-[(E)-2-cyclopropylethenyl]-3-(3,4-dichlorophenyl)urea
CID 108915680
1-[(E)-2-cyclopropylethenyl]-3-naphthalen-2-ylurea
CID 108915883
N,N'-bis(2,4,6-trimethylphenyl)oxamide
CID 13271247
1-(1-methylpiperidin-4-yl)-3-(2,4,6-trimethylphenyl)urea
CID 47132999
1-(4-chloro-2-methoxy-5-methylphenyl)-3-[(E)-2-cyclohexylethenyl]urea
CID 108912284

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-2-cyclopropylethenyl]-3-(2,4,6-trimethylphenyl)urea?
The IUPAC name of 1-[(E)-2-cyclopropylethenyl]-3-(2,4,6-trimethylphenyl)urea (CID 108915759) is 1-[(E)-2-cyclopropylethenyl]-3-(2,4,6-trimethylphenyl)urea.
What is the SMILES notation for 1-[(E)-2-cyclopropylethenyl]-3-(2,4,6-trimethylphenyl)urea?
The canonical SMILES for 1-[(E)-2-cyclopropylethenyl]-3-(2,4,6-trimethylphenyl)urea is Cc1cc(C)c(NC(=O)N/C=C/C2CC2)c(C)c1.
What is the InChIKey of 1-[(E)-2-cyclopropylethenyl]-3-(2,4,6-trimethylphenyl)urea?
The InChIKey is VWCYXPLANCHVEQ-VOTSOKGWSA-N. The full InChI is InChI=1S/C15H20N2O/c1-10-8-11(2)14(12(3)9-10)17-15(18)16-7-6-13-4-5-13/h6-9,13H,4-5H2,1-3H3,(H2,16,17,18)/b7-6+.
What are the key properties of 1-[(E)-2-cyclopropylethenyl]-3-(2,4,6-trimethylphenyl)urea?
1-[(E)-2-cyclopropylethenyl]-3-(2,4,6-trimethylphenyl)urea has a molecular weight of 244.34 g/mol, XLogP of 3.66, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-2-cyclopropylethenyl]-3-(2,4,6-trimethylphenyl)urea is sourced from PubChem (CID 108915759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).