1-ethenyl-3-methyl-1-(2-methylpropyl)urea

C8H16N2O — CID 123979798

IUPAC1-ethenyl-3-methyl-1-(2-methylpropyl)urea
SMILESC=CN(CC(C)C)C(=O)NC
InChIInChI=1S/C8H16N2O/c1-5-10(6-7(2)3)8(11)9-4/h5,7H,1,6H2,2-4H3,(H,9,11)
InChIKeyNOKNCCJESRZZOS-UHFFFAOYSA-N
MW156.23 g/mol
LogP1.43
Rot. Bonds3

About 1-ethenyl-3-methyl-1-(2-methylpropyl)urea

1-ethenyl-3-methyl-1-(2-methylpropyl)urea (PubChem CID 123979798) has the molecular formula C8H16N2O and a molecular weight of 156.23 g/mol. Its IUPAC name is 1-ethenyl-3-methyl-1-(2-methylpropyl)urea.

Molecular Properties

Compound Name1-ethenyl-3-methyl-1-(2-methylpropyl)urea
PubChem CID123979798
Molecular FormulaC8H16N2O
Molecular Weight156.23 g/mol
Exact Mass156.13
IUPAC Name1-ethenyl-3-methyl-1-(2-methylpropyl)urea
SMILESC=CN(CC(C)C)C(=O)NC
InChIInChI=1S/C8H16N2O/c1-5-10(6-7(2)3)8(11)9-4/h5,7H,1,6H2,2-4H3,(H,9,11)
InChIKeyNOKNCCJESRZZOS-UHFFFAOYSA-N
XLogP1.43
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.23
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-ethenyl-3-methyl-1-(2-methylpropyl)urea?
The IUPAC name of 1-ethenyl-3-methyl-1-(2-methylpropyl)urea (CID 123979798) is 1-ethenyl-3-methyl-1-(2-methylpropyl)urea.
What is the SMILES notation for 1-ethenyl-3-methyl-1-(2-methylpropyl)urea?
The canonical SMILES for 1-ethenyl-3-methyl-1-(2-methylpropyl)urea is C=CN(CC(C)C)C(=O)NC.
What is the InChIKey of 1-ethenyl-3-methyl-1-(2-methylpropyl)urea?
The InChIKey is NOKNCCJESRZZOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O/c1-5-10(6-7(2)3)8(11)9-4/h5,7H,1,6H2,2-4H3,(H,9,11).
What are the key properties of 1-ethenyl-3-methyl-1-(2-methylpropyl)urea?
1-ethenyl-3-methyl-1-(2-methylpropyl)urea has a molecular weight of 156.23 g/mol, XLogP of 1.43, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenyl-3-methyl-1-(2-methylpropyl)urea is sourced from PubChem (CID 123979798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).