[(E)-prop-1-enyl]urea

C4H8N2O — CID 18791946

IUPAC[(E)-prop-1-enyl]urea
SMILESC/C=C/NC(N)=O
InChIInChI=1S/C4H8N2O/c1-2-3-6-4(5)7/h2-3H,1H3,(H3,5,6,7)/b3-2+
InChIKeySKXUZVAWHSXDRT-NSCUHMNNSA-N
MW100.12 g/mol
LogP0.19
Rot. Bonds1

About [(E)-prop-1-enyl]urea

[(E)-prop-1-enyl]urea (PubChem CID 18791946) has the molecular formula C4H8N2O and a molecular weight of 100.12 g/mol. Its IUPAC name is [(E)-prop-1-enyl]urea.

Molecular Properties

Compound Name[(E)-prop-1-enyl]urea
PubChem CID18791946
Molecular FormulaC4H8N2O
Molecular Weight100.12 g/mol
Exact Mass100.06
IUPAC Name[(E)-prop-1-enyl]urea
SMILESC/C=C/NC(N)=O
InChIInChI=1S/C4H8N2O/c1-2-3-6-4(5)7/h2-3H,1H3,(H3,5,6,7)/b3-2+
InChIKeySKXUZVAWHSXDRT-NSCUHMNNSA-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 [(E)-prop-1-enyl]urea?
The IUPAC name of [(E)-prop-1-enyl]urea (CID 18791946) is [(E)-prop-1-enyl]urea.
What is the SMILES notation for [(E)-prop-1-enyl]urea?
The canonical SMILES for [(E)-prop-1-enyl]urea is C/C=C/NC(N)=O.
What is the InChIKey of [(E)-prop-1-enyl]urea?
The InChIKey is SKXUZVAWHSXDRT-NSCUHMNNSA-N. The full InChI is InChI=1S/C4H8N2O/c1-2-3-6-4(5)7/h2-3H,1H3,(H3,5,6,7)/b3-2+.
What are the key properties of [(E)-prop-1-enyl]urea?
[(E)-prop-1-enyl]urea 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 [(E)-prop-1-enyl]urea is sourced from PubChem (CID 18791946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).