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

C10H18N2O2 — CID 103852772

IUPAC1-(2-but-3-enoxyethyl)-3-cyclopropylurea
SMILESC=CCCOCCNC(=O)NC1CC1
InChIInChI=1S/C10H18N2O2/c1-2-3-7-14-8-6-11-10(13)12-9-4-5-9/h2,9H,1,3-8H2,(H2,11,12,13)
InChIKeySHZCIHIOXFKJNN-UHFFFAOYSA-N
MW198.27 g/mol
LogP1.04
Rot. Bonds7

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

1-(2-but-3-enoxyethyl)-3-cyclopropylurea (PubChem CID 103852772) has the molecular formula C10H18N2O2 and a molecular weight of 198.27 g/mol. Its IUPAC name is 1-(2-but-3-enoxyethyl)-3-cyclopropylurea.

Molecular Properties

Compound Name1-(2-but-3-enoxyethyl)-3-cyclopropylurea
PubChem CID103852772
Molecular FormulaC10H18N2O2
Molecular Weight198.27 g/mol
Exact Mass198.14
IUPAC Name1-(2-but-3-enoxyethyl)-3-cyclopropylurea
SMILESC=CCCOCCNC(=O)NC1CC1
InChIInChI=1S/C10H18N2O2/c1-2-3-7-14-8-6-11-10(13)12-9-4-5-9/h2,9H,1,3-8H2,(H2,11,12,13)
InChIKeySHZCIHIOXFKJNN-UHFFFAOYSA-N
XLogP1.04
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.27
LogP ≤ 51.04
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'}

Analyze 1-(2-but-3-enoxyethyl)-3-cyclopropylurea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(2-but-3-enoxyethyl)-3-cyclopropylurea?
The IUPAC name of 1-(2-but-3-enoxyethyl)-3-cyclopropylurea (CID 103852772) is 1-(2-but-3-enoxyethyl)-3-cyclopropylurea.
What is the SMILES notation for 1-(2-but-3-enoxyethyl)-3-cyclopropylurea?
The canonical SMILES for 1-(2-but-3-enoxyethyl)-3-cyclopropylurea is C=CCCOCCNC(=O)NC1CC1.
What is the InChIKey of 1-(2-but-3-enoxyethyl)-3-cyclopropylurea?
The InChIKey is SHZCIHIOXFKJNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O2/c1-2-3-7-14-8-6-11-10(13)12-9-4-5-9/h2,9H,1,3-8H2,(H2,11,12,13).
What are the key properties of 1-(2-but-3-enoxyethyl)-3-cyclopropylurea?
1-(2-but-3-enoxyethyl)-3-cyclopropylurea has a molecular weight of 198.27 g/mol, XLogP of 1.04, 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-cyclopropylurea is sourced from PubChem (CID 103852772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).