pent-2-enylurea

C6H12N2O — CID 54059184

IUPACpent-2-enylurea
SMILESCCC=CCNC(N)=O
InChIInChI=1S/C6H12N2O/c1-2-3-4-5-8-6(7)9/h3-4H,2,5H2,1H3,(H3,7,8,9)
InChIKeyFOGROUARZXUBHM-UHFFFAOYSA-N
MW128.17 g/mol
LogP0.62
Rot. Bonds3

About pent-2-enylurea

pent-2-enylurea (PubChem CID 54059184) has the molecular formula C6H12N2O and a molecular weight of 128.17 g/mol. Its IUPAC name is pent-2-enylurea.

Molecular Properties

Compound Namepent-2-enylurea
PubChem CID54059184
Molecular FormulaC6H12N2O
Molecular Weight128.17 g/mol
Exact Mass128.09
IUPAC Namepent-2-enylurea
SMILESCCC=CCNC(N)=O
InChIInChI=1S/C6H12N2O/c1-2-3-4-5-8-6(7)9/h3-4H,2,5H2,1H3,(H3,7,8,9)
InChIKeyFOGROUARZXUBHM-UHFFFAOYSA-N
XLogP0.62
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.17
LogP ≤ 50.62
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 pent-2-enylurea?
The IUPAC name of pent-2-enylurea (CID 54059184) is pent-2-enylurea.
What is the SMILES notation for pent-2-enylurea?
The canonical SMILES for pent-2-enylurea is CCC=CCNC(N)=O.
What is the InChIKey of pent-2-enylurea?
The InChIKey is FOGROUARZXUBHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2O/c1-2-3-4-5-8-6(7)9/h3-4H,2,5H2,1H3,(H3,7,8,9).
What are the key properties of pent-2-enylurea?
pent-2-enylurea has a molecular weight of 128.17 g/mol, XLogP of 0.62, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for pent-2-enylurea is sourced from PubChem (CID 54059184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).