1-but-3-en-2-yl-3-methoxyurea

C6H12N2O2 — CID 130702984

IUPAC1-but-3-en-2-yl-3-methoxyurea
SMILESC=CC(C)NC(=O)NOC
InChIInChI=1S/C6H12N2O2/c1-4-5(2)7-6(9)8-10-3/h4-5H,1H2,2-3H3,(H2,7,8,9)
InChIKeyFVGVBXUQVVGPSD-UHFFFAOYSA-N
MW144.17 g/mol
LogP0.42
Rot. Bonds3

About 1-but-3-en-2-yl-3-methoxyurea

1-but-3-en-2-yl-3-methoxyurea (PubChem CID 130702984) has the molecular formula C6H12N2O2 and a molecular weight of 144.17 g/mol. Its IUPAC name is 1-but-3-en-2-yl-3-methoxyurea.

Molecular Properties

Compound Name1-but-3-en-2-yl-3-methoxyurea
PubChem CID130702984
Molecular FormulaC6H12N2O2
Molecular Weight144.17 g/mol
Exact Mass144.09
IUPAC Name1-but-3-en-2-yl-3-methoxyurea
SMILESC=CC(C)NC(=O)NOC
InChIInChI=1S/C6H12N2O2/c1-4-5(2)7-6(9)8-10-3/h4-5H,1H2,2-3H3,(H2,7,8,9)
InChIKeyFVGVBXUQVVGPSD-UHFFFAOYSA-N
XLogP0.42
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.17
LogP ≤ 50.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-but-3-en-2-yl-3-methoxyurea 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-but-3-en-2-yl-3-methoxyurea?
The IUPAC name of 1-but-3-en-2-yl-3-methoxyurea (CID 130702984) is 1-but-3-en-2-yl-3-methoxyurea.
What is the SMILES notation for 1-but-3-en-2-yl-3-methoxyurea?
The canonical SMILES for 1-but-3-en-2-yl-3-methoxyurea is C=CC(C)NC(=O)NOC.
What is the InChIKey of 1-but-3-en-2-yl-3-methoxyurea?
The InChIKey is FVGVBXUQVVGPSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2O2/c1-4-5(2)7-6(9)8-10-3/h4-5H,1H2,2-3H3,(H2,7,8,9).
What are the key properties of 1-but-3-en-2-yl-3-methoxyurea?
1-but-3-en-2-yl-3-methoxyurea has a molecular weight of 144.17 g/mol, XLogP of 0.42, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-but-3-en-2-yl-3-methoxyurea is sourced from PubChem (CID 130702984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).