1-[(2,2-dichlorocyclopropyl)methyl]-3-methoxyurea

C6H10Cl2N2O2 — CID 130684604

IUPAC1-[(2,2-dichlorocyclopropyl)methyl]-3-methoxyurea
SMILESCONC(=O)NCC1CC1(Cl)Cl
InChIInChI=1S/C6H10Cl2N2O2/c1-12-10-5(11)9-3-4-2-6(4,7)8/h4H,2-3H2,1H3,(H2,9,10,11)
InChIKeyUFAHPJQMDTZLLN-UHFFFAOYSA-N
MW213.06 g/mol
LogP1.04
Rot. Bonds3

About 1-[(2,2-dichlorocyclopropyl)methyl]-3-methoxyurea

1-[(2,2-dichlorocyclopropyl)methyl]-3-methoxyurea (PubChem CID 130684604) has the molecular formula C6H10Cl2N2O2 and a molecular weight of 213.06 g/mol. Its IUPAC name is 1-[(2,2-dichlorocyclopropyl)methyl]-3-methoxyurea.

Molecular Properties

Compound Name1-[(2,2-dichlorocyclopropyl)methyl]-3-methoxyurea
PubChem CID130684604
Molecular FormulaC6H10Cl2N2O2
Molecular Weight213.06 g/mol
Exact Mass212.01
IUPAC Name1-[(2,2-dichlorocyclopropyl)methyl]-3-methoxyurea
SMILESCONC(=O)NCC1CC1(Cl)Cl
InChIInChI=1S/C6H10Cl2N2O2/c1-12-10-5(11)9-3-4-2-6(4,7)8/h4H,2-3H2,1H3,(H2,9,10,11)
InChIKeyUFAHPJQMDTZLLN-UHFFFAOYSA-N
XLogP1.04
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.06
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-[(2,2-dichlorocyclopropyl)methyl]-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-[(2,2-dichlorocyclopropyl)methyl]-3-methoxyurea?
The IUPAC name of 1-[(2,2-dichlorocyclopropyl)methyl]-3-methoxyurea (CID 130684604) is 1-[(2,2-dichlorocyclopropyl)methyl]-3-methoxyurea.
What is the SMILES notation for 1-[(2,2-dichlorocyclopropyl)methyl]-3-methoxyurea?
The canonical SMILES for 1-[(2,2-dichlorocyclopropyl)methyl]-3-methoxyurea is CONC(=O)NCC1CC1(Cl)Cl.
What is the InChIKey of 1-[(2,2-dichlorocyclopropyl)methyl]-3-methoxyurea?
The InChIKey is UFAHPJQMDTZLLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10Cl2N2O2/c1-12-10-5(11)9-3-4-2-6(4,7)8/h4H,2-3H2,1H3,(H2,9,10,11).
What are the key properties of 1-[(2,2-dichlorocyclopropyl)methyl]-3-methoxyurea?
1-[(2,2-dichlorocyclopropyl)methyl]-3-methoxyurea has a molecular weight of 213.06 g/mol, XLogP of 1.04, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,2-dichlorocyclopropyl)methyl]-3-methoxyurea is sourced from PubChem (CID 130684604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).