prop-1-enylurea

C4H8N2O — CID 54130800

IUPACprop-1-enylurea
SMILESCC=CNC(N)=O
InChIInChI=1S/C4H8N2O/c1-2-3-6-4(5)7/h2-3H,1H3,(H3,5,6,7)
InChIKeySKXUZVAWHSXDRT-UHFFFAOYSA-N
MW100.12 g/mol
LogP0.19
Rot. Bonds1

About prop-1-enylurea

prop-1-enylurea (PubChem CID 54130800) has the molecular formula C4H8N2O and a molecular weight of 100.12 g/mol. Its IUPAC name is prop-1-enylurea.

Molecular Properties

Compound Nameprop-1-enylurea
PubChem CID54130800
Molecular FormulaC4H8N2O
Molecular Weight100.12 g/mol
Exact Mass100.06
IUPAC Nameprop-1-enylurea
SMILESCC=CNC(N)=O
InChIInChI=1S/C4H8N2O/c1-2-3-6-4(5)7/h2-3H,1H3,(H3,5,6,7)
InChIKeySKXUZVAWHSXDRT-UHFFFAOYSA-N
XLogP0.19
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500100.12
LogP ≤ 50.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of prop-1-enylurea?
The IUPAC name of prop-1-enylurea (CID 54130800) is prop-1-enylurea.
What is the SMILES notation for prop-1-enylurea?
The canonical SMILES for prop-1-enylurea is CC=CNC(N)=O.
What is the InChIKey of prop-1-enylurea?
The InChIKey is SKXUZVAWHSXDRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8N2O/c1-2-3-6-4(5)7/h2-3H,1H3,(H3,5,6,7).
What are the key properties of prop-1-enylurea?
prop-1-enylurea has a molecular weight of 100.12 g/mol, XLogP of 0.19, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for prop-1-enylurea is sourced from PubChem (CID 54130800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).