1-(ethenylcarbamoyl)-1,3-dimethylurea

C6H11N3O2 — CID 58598634

IUPAC1-(ethenylcarbamoyl)-1,3-dimethylurea
SMILESC=CNC(=O)N(C)C(=O)NC
InChIInChI=1S/C6H11N3O2/c1-4-8-6(11)9(3)5(10)7-2/h4H,1H2,2-3H3,(H,7,10)(H,8,11)
InChIKeyDTJRIAVZIWENFY-UHFFFAOYSA-N
MW157.17 g/mol
LogP0.11
Rot. Bonds1

About 1-(ethenylcarbamoyl)-1,3-dimethylurea

1-(ethenylcarbamoyl)-1,3-dimethylurea (PubChem CID 58598634) has the molecular formula C6H11N3O2 and a molecular weight of 157.17 g/mol. Its IUPAC name is 1-(ethenylcarbamoyl)-1,3-dimethylurea.

Molecular Properties

Compound Name1-(ethenylcarbamoyl)-1,3-dimethylurea
PubChem CID58598634
Molecular FormulaC6H11N3O2
Molecular Weight157.17 g/mol
Exact Mass157.09
IUPAC Name1-(ethenylcarbamoyl)-1,3-dimethylurea
SMILESC=CNC(=O)N(C)C(=O)NC
InChIInChI=1S/C6H11N3O2/c1-4-8-6(11)9(3)5(10)7-2/h4H,1H2,2-3H3,(H,7,10)(H,8,11)
InChIKeyDTJRIAVZIWENFY-UHFFFAOYSA-N
XLogP0.11
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.17
LogP ≤ 50.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(ethenylcarbamoyl)-1,3-dimethylurea?
The IUPAC name of 1-(ethenylcarbamoyl)-1,3-dimethylurea (CID 58598634) is 1-(ethenylcarbamoyl)-1,3-dimethylurea.
What is the SMILES notation for 1-(ethenylcarbamoyl)-1,3-dimethylurea?
The canonical SMILES for 1-(ethenylcarbamoyl)-1,3-dimethylurea is C=CNC(=O)N(C)C(=O)NC.
What is the InChIKey of 1-(ethenylcarbamoyl)-1,3-dimethylurea?
The InChIKey is DTJRIAVZIWENFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N3O2/c1-4-8-6(11)9(3)5(10)7-2/h4H,1H2,2-3H3,(H,7,10)(H,8,11).
What are the key properties of 1-(ethenylcarbamoyl)-1,3-dimethylurea?
1-(ethenylcarbamoyl)-1,3-dimethylurea has a molecular weight of 157.17 g/mol, XLogP of 0.11, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(ethenylcarbamoyl)-1,3-dimethylurea is sourced from PubChem (CID 58598634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).