but-3-enylurea

C5H10N2O — CID 15205523

IUPACbut-3-enylurea
SMILESC=CCCNC(N)=O
InChIInChI=1S/C5H10N2O/c1-2-3-4-7-5(6)8/h2H,1,3-4H2,(H3,6,7,8)
InChIKeyRKKNNNKQFHNATN-UHFFFAOYSA-N
MW114.15 g/mol
LogP0.23
Rot. Bonds3

About but-3-enylurea

but-3-enylurea (PubChem CID 15205523) has the molecular formula C5H10N2O and a molecular weight of 114.15 g/mol. Its IUPAC name is but-3-enylurea.

Molecular Properties

Compound Namebut-3-enylurea
PubChem CID15205523
Molecular FormulaC5H10N2O
Molecular Weight114.15 g/mol
Exact Mass114.08
IUPAC Namebut-3-enylurea
SMILESC=CCCNC(N)=O
InChIInChI=1S/C5H10N2O/c1-2-3-4-7-5(6)8/h2H,1,3-4H2,(H3,6,7,8)
InChIKeyRKKNNNKQFHNATN-UHFFFAOYSA-N
XLogP0.23
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500114.15
LogP ≤ 50.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of but-3-enylurea?
The IUPAC name of but-3-enylurea (CID 15205523) is but-3-enylurea.
What is the SMILES notation for but-3-enylurea?
The canonical SMILES for but-3-enylurea is C=CCCNC(N)=O.
What is the InChIKey of but-3-enylurea?
The InChIKey is RKKNNNKQFHNATN-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10N2O/c1-2-3-4-7-5(6)8/h2H,1,3-4H2,(H3,6,7,8).
What are the key properties of but-3-enylurea?
but-3-enylurea has a molecular weight of 114.15 g/mol, XLogP of 0.23, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for but-3-enylurea is sourced from PubChem (CID 15205523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).