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

C7H12Cl2N2O — CID 131155795

IUPAC3-[(2,2-dichlorocyclopropyl)methyl]-1,1-dimethylurea
SMILESCN(C)C(=O)NCC1CC1(Cl)Cl
InChIInChI=1S/C7H12Cl2N2O/c1-11(2)6(12)10-4-5-3-7(5,8)9/h5H,3-4H2,1-2H3,(H,10,12)
InChIKeyJBTVSURLIMQPID-UHFFFAOYSA-N
MW211.09 g/mol
LogP1.45
Rot. Bonds2

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

3-[(2,2-dichlorocyclopropyl)methyl]-1,1-dimethylurea (PubChem CID 131155795) has the molecular formula C7H12Cl2N2O and a molecular weight of 211.09 g/mol. Its IUPAC name is 3-[(2,2-dichlorocyclopropyl)methyl]-1,1-dimethylurea.

Molecular Properties

Compound Name3-[(2,2-dichlorocyclopropyl)methyl]-1,1-dimethylurea
PubChem CID131155795
Molecular FormulaC7H12Cl2N2O
Molecular Weight211.09 g/mol
Exact Mass210.03
IUPAC Name3-[(2,2-dichlorocyclopropyl)methyl]-1,1-dimethylurea
SMILESCN(C)C(=O)NCC1CC1(Cl)Cl
InChIInChI=1S/C7H12Cl2N2O/c1-11(2)6(12)10-4-5-3-7(5,8)9/h5H,3-4H2,1-2H3,(H,10,12)
InChIKeyJBTVSURLIMQPID-UHFFFAOYSA-N
XLogP1.45
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.09
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[(2,2-dichlorocyclopropyl)methyl]-1,1-dimethylurea?
The IUPAC name of 3-[(2,2-dichlorocyclopropyl)methyl]-1,1-dimethylurea (CID 131155795) is 3-[(2,2-dichlorocyclopropyl)methyl]-1,1-dimethylurea.
What is the SMILES notation for 3-[(2,2-dichlorocyclopropyl)methyl]-1,1-dimethylurea?
The canonical SMILES for 3-[(2,2-dichlorocyclopropyl)methyl]-1,1-dimethylurea is CN(C)C(=O)NCC1CC1(Cl)Cl.
What is the InChIKey of 3-[(2,2-dichlorocyclopropyl)methyl]-1,1-dimethylurea?
The InChIKey is JBTVSURLIMQPID-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12Cl2N2O/c1-11(2)6(12)10-4-5-3-7(5,8)9/h5H,3-4H2,1-2H3,(H,10,12).
What are the key properties of 3-[(2,2-dichlorocyclopropyl)methyl]-1,1-dimethylurea?
3-[(2,2-dichlorocyclopropyl)methyl]-1,1-dimethylurea has a molecular weight of 211.09 g/mol, XLogP of 1.45, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,2-dichlorocyclopropyl)methyl]-1,1-dimethylurea is sourced from PubChem (CID 131155795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).