1,3-bis(ethenyl)urea

C5H8N2O — CID 22486539

IUPAC1,3-bis(ethenyl)urea
SMILESC=CNC(=O)NC=C
InChIInChI=1S/C5H8N2O/c1-3-6-5(8)7-4-2/h3-4H,1-2H2,(H2,6,7,8)
InChIKeyXYVUMSLDGNBERJ-UHFFFAOYSA-N
MW112.13 g/mol
LogP0.57
Rot. Bonds2

About 1,3-bis(ethenyl)urea

1,3-bis(ethenyl)urea (PubChem CID 22486539) has the molecular formula C5H8N2O and a molecular weight of 112.13 g/mol. Its IUPAC name is 1,3-bis(ethenyl)urea.

Molecular Properties

Compound Name1,3-bis(ethenyl)urea
PubChem CID22486539
Molecular FormulaC5H8N2O
Molecular Weight112.13 g/mol
Exact Mass112.06
IUPAC Name1,3-bis(ethenyl)urea
SMILESC=CNC(=O)NC=C
InChIInChI=1S/C5H8N2O/c1-3-6-5(8)7-4-2/h3-4H,1-2H2,(H2,6,7,8)
InChIKeyXYVUMSLDGNBERJ-UHFFFAOYSA-N
XLogP0.57
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500112.13
LogP ≤ 50.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,3-bis(ethenyl)urea?
The IUPAC name of 1,3-bis(ethenyl)urea (CID 22486539) is 1,3-bis(ethenyl)urea.
What is the SMILES notation for 1,3-bis(ethenyl)urea?
The canonical SMILES for 1,3-bis(ethenyl)urea is C=CNC(=O)NC=C.
What is the InChIKey of 1,3-bis(ethenyl)urea?
The InChIKey is XYVUMSLDGNBERJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N2O/c1-3-6-5(8)7-4-2/h3-4H,1-2H2,(H2,6,7,8).
What are the key properties of 1,3-bis(ethenyl)urea?
1,3-bis(ethenyl)urea has a molecular weight of 112.13 g/mol, XLogP of 0.57, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis(ethenyl)urea is sourced from PubChem (CID 22486539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).