[2-(methylamino)-2-oxoethyl] 2,2-dichloro-1-methylcyclopropane-1-carboxylate

C8H11Cl2NO3 — CID 55319053

IUPAC[2-(methylamino)-2-oxoethyl] 2,2-dichloro-1-methylcyclopropane-1-carboxylate
SMILESCNC(=O)COC(=O)C1(C)CC1(Cl)Cl
InChIInChI=1S/C8H11Cl2NO3/c1-7(4-8(7,9)10)6(13)14-3-5(12)11-2/h3-4H2,1-2H3,(H,11,12)
InChIKeyKYEJQKPAIHDNOD-UHFFFAOYSA-N
MW240.09 g/mol
LogP0.86
Rot. Bonds3

About [2-(methylamino)-2-oxoethyl] 2,2-dichloro-1-methylcyclopropane-1-carboxylate

[2-(methylamino)-2-oxoethyl] 2,2-dichloro-1-methylcyclopropane-1-carboxylate (PubChem CID 55319053) has the molecular formula C8H11Cl2NO3 and a molecular weight of 240.09 g/mol. Its IUPAC name is [2-(methylamino)-2-oxoethyl] 2,2-dichloro-1-methylcyclopropane-1-carboxylate.

Molecular Properties

Compound Name[2-(methylamino)-2-oxoethyl] 2,2-dichloro-1-methylcyclopropane-1-carboxylate
PubChem CID55319053
Molecular FormulaC8H11Cl2NO3
Molecular Weight240.09 g/mol
Exact Mass239.01
IUPAC Name[2-(methylamino)-2-oxoethyl] 2,2-dichloro-1-methylcyclopropane-1-carboxylate
SMILESCNC(=O)COC(=O)C1(C)CC1(Cl)Cl
InChIInChI=1S/C8H11Cl2NO3/c1-7(4-8(7,9)10)6(13)14-3-5(12)11-2/h3-4H2,1-2H3,(H,11,12)
InChIKeyKYEJQKPAIHDNOD-UHFFFAOYSA-N
XLogP0.86
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.09
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 [2-(methylamino)-2-oxoethyl] 2,2-dichloro-1-methylcyclopropane-1-carboxylate?
The IUPAC name of [2-(methylamino)-2-oxoethyl] 2,2-dichloro-1-methylcyclopropane-1-carboxylate (CID 55319053) is [2-(methylamino)-2-oxoethyl] 2,2-dichloro-1-methylcyclopropane-1-carboxylate.
What is the SMILES notation for [2-(methylamino)-2-oxoethyl] 2,2-dichloro-1-methylcyclopropane-1-carboxylate?
The canonical SMILES for [2-(methylamino)-2-oxoethyl] 2,2-dichloro-1-methylcyclopropane-1-carboxylate is CNC(=O)COC(=O)C1(C)CC1(Cl)Cl.
What is the InChIKey of [2-(methylamino)-2-oxoethyl] 2,2-dichloro-1-methylcyclopropane-1-carboxylate?
The InChIKey is KYEJQKPAIHDNOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11Cl2NO3/c1-7(4-8(7,9)10)6(13)14-3-5(12)11-2/h3-4H2,1-2H3,(H,11,12).
What are the key properties of [2-(methylamino)-2-oxoethyl] 2,2-dichloro-1-methylcyclopropane-1-carboxylate?
[2-(methylamino)-2-oxoethyl] 2,2-dichloro-1-methylcyclopropane-1-carboxylate has a molecular weight of 240.09 g/mol, XLogP of 0.86, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(methylamino)-2-oxoethyl] 2,2-dichloro-1-methylcyclopropane-1-carboxylate is sourced from PubChem (CID 55319053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).