3-[(E)-2-(dimethylcarbamoylamino)ethenyl]-1,1-dimethylurea

C8H16N4O2 — CID 3056822

IUPAC3-[(E)-2-(dimethylcarbamoylamino)ethenyl]-1,1-dimethylurea
SMILESCN(C)C(=O)N/C=C/NC(=O)N(C)C
InChIInChI=1S/C8H16N4O2/c1-11(2)7(13)9-5-6-10-8(14)12(3)4/h5-6H,1-4H3,(H,9,13)(H,10,14)/b6-5+
InChIKeyBOLVJFYAJXYIKB-AATRIKPKSA-N
MW200.24 g/mol
LogP0.00
Rot. Bonds2

About 3-[(E)-2-(dimethylcarbamoylamino)ethenyl]-1,1-dimethylurea

3-[(E)-2-(dimethylcarbamoylamino)ethenyl]-1,1-dimethylurea (PubChem CID 3056822) has the molecular formula C8H16N4O2 and a molecular weight of 200.24 g/mol. Its IUPAC name is 3-[(E)-2-(dimethylcarbamoylamino)ethenyl]-1,1-dimethylurea.

Molecular Properties

Compound Name3-[(E)-2-(dimethylcarbamoylamino)ethenyl]-1,1-dimethylurea
PubChem CID3056822
Molecular FormulaC8H16N4O2
Molecular Weight200.24 g/mol
Exact Mass200.13
IUPAC Name3-[(E)-2-(dimethylcarbamoylamino)ethenyl]-1,1-dimethylurea
SMILESCN(C)C(=O)N/C=C/NC(=O)N(C)C
InChIInChI=1S/C8H16N4O2/c1-11(2)7(13)9-5-6-10-8(14)12(3)4/h5-6H,1-4H3,(H,9,13)(H,10,14)/b6-5+
InChIKeyBOLVJFYAJXYIKB-AATRIKPKSA-N
XLogP0.00
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.24
LogP ≤ 50.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[(E)-2-(dimethylcarbamoylamino)ethenyl]-1,1-dimethylurea?
The IUPAC name of 3-[(E)-2-(dimethylcarbamoylamino)ethenyl]-1,1-dimethylurea (CID 3056822) is 3-[(E)-2-(dimethylcarbamoylamino)ethenyl]-1,1-dimethylurea.
What is the SMILES notation for 3-[(E)-2-(dimethylcarbamoylamino)ethenyl]-1,1-dimethylurea?
The canonical SMILES for 3-[(E)-2-(dimethylcarbamoylamino)ethenyl]-1,1-dimethylurea is CN(C)C(=O)N/C=C/NC(=O)N(C)C.
What is the InChIKey of 3-[(E)-2-(dimethylcarbamoylamino)ethenyl]-1,1-dimethylurea?
The InChIKey is BOLVJFYAJXYIKB-AATRIKPKSA-N. The full InChI is InChI=1S/C8H16N4O2/c1-11(2)7(13)9-5-6-10-8(14)12(3)4/h5-6H,1-4H3,(H,9,13)(H,10,14)/b6-5+.
What are the key properties of 3-[(E)-2-(dimethylcarbamoylamino)ethenyl]-1,1-dimethylurea?
3-[(E)-2-(dimethylcarbamoylamino)ethenyl]-1,1-dimethylurea has a molecular weight of 200.24 g/mol, XLogP of 0.00, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(E)-2-(dimethylcarbamoylamino)ethenyl]-1,1-dimethylurea is sourced from PubChem (CID 3056822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).