1-(2-but-3-enoxyethyl)-3-cyclobutylurea

C11H20N2O2 — CID 103855195

IUPAC1-(2-but-3-enoxyethyl)-3-cyclobutylurea
SMILESC=CCCOCCNC(=O)NC1CCC1
InChIInChI=1S/C11H20N2O2/c1-2-3-8-15-9-7-12-11(14)13-10-5-4-6-10/h2,10H,1,3-9H2,(H2,12,13,14)
InChIKeyJQYTXESPMKUHIO-UHFFFAOYSA-N
MW212.29 g/mol
LogP1.43
Rot. Bonds7

About 1-(2-but-3-enoxyethyl)-3-cyclobutylurea

1-(2-but-3-enoxyethyl)-3-cyclobutylurea (PubChem CID 103855195) has the molecular formula C11H20N2O2 and a molecular weight of 212.29 g/mol. Its IUPAC name is 1-(2-but-3-enoxyethyl)-3-cyclobutylurea.

Molecular Properties

Compound Name1-(2-but-3-enoxyethyl)-3-cyclobutylurea
PubChem CID103855195
Molecular FormulaC11H20N2O2
Molecular Weight212.29 g/mol
Exact Mass212.15
IUPAC Name1-(2-but-3-enoxyethyl)-3-cyclobutylurea
SMILESC=CCCOCCNC(=O)NC1CCC1
InChIInChI=1S/C11H20N2O2/c1-2-3-8-15-9-7-12-11(14)13-10-5-4-6-10/h2,10H,1,3-9H2,(H2,12,13,14)
InChIKeyJQYTXESPMKUHIO-UHFFFAOYSA-N
XLogP1.43
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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 1-(2-but-3-enoxyethyl)-3-cyclobutylurea?
The IUPAC name of 1-(2-but-3-enoxyethyl)-3-cyclobutylurea (CID 103855195) is 1-(2-but-3-enoxyethyl)-3-cyclobutylurea.
What is the SMILES notation for 1-(2-but-3-enoxyethyl)-3-cyclobutylurea?
The canonical SMILES for 1-(2-but-3-enoxyethyl)-3-cyclobutylurea is C=CCCOCCNC(=O)NC1CCC1.
What is the InChIKey of 1-(2-but-3-enoxyethyl)-3-cyclobutylurea?
The InChIKey is JQYTXESPMKUHIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O2/c1-2-3-8-15-9-7-12-11(14)13-10-5-4-6-10/h2,10H,1,3-9H2,(H2,12,13,14).
What are the key properties of 1-(2-but-3-enoxyethyl)-3-cyclobutylurea?
1-(2-but-3-enoxyethyl)-3-cyclobutylurea has a molecular weight of 212.29 g/mol, XLogP of 1.43, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-but-3-enoxyethyl)-3-cyclobutylurea is sourced from PubChem (CID 103855195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).