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

C7H12Cl2N2O — CID 130739970

IUPAC1-[(2,2-dichlorocyclopropyl)methyl]-3-ethylurea
SMILESCCNC(=O)NCC1CC1(Cl)Cl
InChIInChI=1S/C7H12Cl2N2O/c1-2-10-6(12)11-4-5-3-7(5,8)9/h5H,2-4H2,1H3,(H2,10,11,12)
InChIKeyMZJOHURPWZZQLU-UHFFFAOYSA-N
MW211.09 g/mol
LogP1.50
Rot. Bonds3

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

1-[(2,2-dichlorocyclopropyl)methyl]-3-ethylurea (PubChem CID 130739970) has the molecular formula C7H12Cl2N2O and a molecular weight of 211.09 g/mol. Its IUPAC name is 1-[(2,2-dichlorocyclopropyl)methyl]-3-ethylurea.

Molecular Properties

Compound Name1-[(2,2-dichlorocyclopropyl)methyl]-3-ethylurea
PubChem CID130739970
Molecular FormulaC7H12Cl2N2O
Molecular Weight211.09 g/mol
Exact Mass210.03
IUPAC Name1-[(2,2-dichlorocyclopropyl)methyl]-3-ethylurea
SMILESCCNC(=O)NCC1CC1(Cl)Cl
InChIInChI=1S/C7H12Cl2N2O/c1-2-10-6(12)11-4-5-3-7(5,8)9/h5H,2-4H2,1H3,(H2,10,11,12)
InChIKeyMZJOHURPWZZQLU-UHFFFAOYSA-N
XLogP1.50
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.09
LogP ≤ 51.50
H-Bond Donors ≤ 52
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 1-[(2,2-dichlorocyclopropyl)methyl]-3-ethylurea?
The IUPAC name of 1-[(2,2-dichlorocyclopropyl)methyl]-3-ethylurea (CID 130739970) is 1-[(2,2-dichlorocyclopropyl)methyl]-3-ethylurea.
What is the SMILES notation for 1-[(2,2-dichlorocyclopropyl)methyl]-3-ethylurea?
The canonical SMILES for 1-[(2,2-dichlorocyclopropyl)methyl]-3-ethylurea is CCNC(=O)NCC1CC1(Cl)Cl.
What is the InChIKey of 1-[(2,2-dichlorocyclopropyl)methyl]-3-ethylurea?
The InChIKey is MZJOHURPWZZQLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12Cl2N2O/c1-2-10-6(12)11-4-5-3-7(5,8)9/h5H,2-4H2,1H3,(H2,10,11,12).
What are the key properties of 1-[(2,2-dichlorocyclopropyl)methyl]-3-ethylurea?
1-[(2,2-dichlorocyclopropyl)methyl]-3-ethylurea has a molecular weight of 211.09 g/mol, XLogP of 1.50, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,2-dichlorocyclopropyl)methyl]-3-ethylurea is sourced from PubChem (CID 130739970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).