prop-2-enylurea

C4H8N2O — CID 11181

IUPACprop-2-enylurea
SMILESC=CCNC(N)=O
InChIInChI=1S/C4H8N2O/c1-2-3-6-4(5)7/h2H,1,3H2,(H3,5,6,7)
InChIKeyVPJDULFXCAQHRC-UHFFFAOYSA-N
MW100.12 g/mol
LogP-0.16
Rot. Bonds2

About prop-2-enylurea

prop-2-enylurea (PubChem CID 11181) has the molecular formula C4H8N2O and a molecular weight of 100.12 g/mol. Its IUPAC name is prop-2-enylurea.

Molecular Properties

Compound Nameprop-2-enylurea
PubChem CID11181
Molecular FormulaC4H8N2O
Molecular Weight100.12 g/mol
Exact Mass100.06
IUPAC Nameprop-2-enylurea
SMILESC=CCNC(N)=O
InChIInChI=1S/C4H8N2O/c1-2-3-6-4(5)7/h2H,1,3H2,(H3,5,6,7)
InChIKeyVPJDULFXCAQHRC-UHFFFAOYSA-N
XLogP-0.16
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500100.12
LogP ≤ 5-0.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of prop-2-enylurea?
The IUPAC name of prop-2-enylurea (CID 11181) is prop-2-enylurea.
What is the SMILES notation for prop-2-enylurea?
The canonical SMILES for prop-2-enylurea is C=CCNC(N)=O.
What is the InChIKey of prop-2-enylurea?
The InChIKey is VPJDULFXCAQHRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8N2O/c1-2-3-6-4(5)7/h2H,1,3H2,(H3,5,6,7).
What are the key properties of prop-2-enylurea?
prop-2-enylurea has a molecular weight of 100.12 g/mol, XLogP of -0.16, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enylurea is sourced from PubChem (CID 11181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).