[3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropyl]-morpholin-4-ylmethanone

C12H17Cl2NO2 — CID 3321182

IUPAC[3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropyl]-morpholin-4-ylmethanone
SMILESCC1(C)C(C=C(Cl)Cl)C1C(=O)N1CCOCC1
InChIInChI=1S/C12H17Cl2NO2/c1-12(2)8(7-9(13)14)10(12)11(16)15-3-5-17-6-4-15/h7-8,10H,3-6H2,1-2H3
InChIKeyAZVNADSOQJYKHD-UHFFFAOYSA-N
MW278.18 g/mol
LogP2.44
Rot. Bonds2

About [3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropyl]-morpholin-4-ylmethanone

[3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropyl]-morpholin-4-ylmethanone (PubChem CID 3321182) has the molecular formula C12H17Cl2NO2 and a molecular weight of 278.18 g/mol. Its IUPAC name is [3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropyl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropyl]-morpholin-4-ylmethanone
PubChem CID3321182
Molecular FormulaC12H17Cl2NO2
Molecular Weight278.18 g/mol
Exact Mass277.06
IUPAC Name[3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropyl]-morpholin-4-ylmethanone
SMILESCC1(C)C(C=C(Cl)Cl)C1C(=O)N1CCOCC1
InChIInChI=1S/C12H17Cl2NO2/c1-12(2)8(7-9(13)14)10(12)11(16)15-3-5-17-6-4-15/h7-8,10H,3-6H2,1-2H3
InChIKeyAZVNADSOQJYKHD-UHFFFAOYSA-N
XLogP2.44
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.18
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropyl]-morpholin-4-ylmethanone?
The IUPAC name of [3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropyl]-morpholin-4-ylmethanone (CID 3321182) is [3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropyl]-morpholin-4-ylmethanone.
What is the SMILES notation for [3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropyl]-morpholin-4-ylmethanone?
The canonical SMILES for [3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropyl]-morpholin-4-ylmethanone is CC1(C)C(C=C(Cl)Cl)C1C(=O)N1CCOCC1.
What is the InChIKey of [3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropyl]-morpholin-4-ylmethanone?
The InChIKey is AZVNADSOQJYKHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17Cl2NO2/c1-12(2)8(7-9(13)14)10(12)11(16)15-3-5-17-6-4-15/h7-8,10H,3-6H2,1-2H3.
What are the key properties of [3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropyl]-morpholin-4-ylmethanone?
[3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropyl]-morpholin-4-ylmethanone has a molecular weight of 278.18 g/mol, XLogP of 2.44, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropyl]-morpholin-4-ylmethanone is sourced from PubChem (CID 3321182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).