2,2-dichloro-1-(2-ethyl-2,5-dimethyl-1,3-oxazolidin-3-yl)ethanone

C9H15Cl2NO2 — CID 23043343

IUPAC2,2-dichloro-1-(2-ethyl-2,5-dimethyl-1,3-oxazolidin-3-yl)ethanone
SMILESCCC1(C)OC(C)CN1C(=O)C(Cl)Cl
InChIInChI=1S/C9H15Cl2NO2/c1-4-9(3)12(5-6(2)14-9)8(13)7(10)11/h6-7H,4-5H2,1-3H3
InChIKeyFZMPDMBGAKPJJG-UHFFFAOYSA-N
MW240.13 g/mol
LogP2.16
Rot. Bonds2

About 2,2-dichloro-1-(2-ethyl-2,5-dimethyl-1,3-oxazolidin-3-yl)ethanone

2,2-dichloro-1-(2-ethyl-2,5-dimethyl-1,3-oxazolidin-3-yl)ethanone (PubChem CID 23043343) has the molecular formula C9H15Cl2NO2 and a molecular weight of 240.13 g/mol. Its IUPAC name is 2,2-dichloro-1-(2-ethyl-2,5-dimethyl-1,3-oxazolidin-3-yl)ethanone.

Molecular Properties

Compound Name2,2-dichloro-1-(2-ethyl-2,5-dimethyl-1,3-oxazolidin-3-yl)ethanone
PubChem CID23043343
Molecular FormulaC9H15Cl2NO2
Molecular Weight240.13 g/mol
Exact Mass239.05
IUPAC Name2,2-dichloro-1-(2-ethyl-2,5-dimethyl-1,3-oxazolidin-3-yl)ethanone
SMILESCCC1(C)OC(C)CN1C(=O)C(Cl)Cl
InChIInChI=1S/C9H15Cl2NO2/c1-4-9(3)12(5-6(2)14-9)8(13)7(10)11/h6-7H,4-5H2,1-3H3
InChIKeyFZMPDMBGAKPJJG-UHFFFAOYSA-N
XLogP2.16
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.13
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,2-dichloro-1-(2-ethyl-2-methyl-1,3-oxazolidin-3-yl)ethanone
CID 12906840
2,2-dichloro-1-(2,2-dimethyl-1,3-oxazolidin-3-yl)ethanone
CID 11492198
2,2-dichloro-1-[(2S,5R)-4-(2,2-dichloroacetyl)-2,5-dimethylpiperazin-1-yl]ethanone
CID 840950
2,2-dichloro-1-[(4R)-4-ethyl-2,2-dimethyl-1,3-oxazolidin-3-yl]ethanone
CID 70676873
7a-ethyl-2,6-dimethyl-2,3,5,6-tetrahydro-[1,3]oxazolo[2,3-b][1,3]oxazole
CID 68570933
1-[2,5-dimethyl-2-(2-methylpropyl)-1,3-oxazolidin-3-yl]propan-2-ol
CID 19994130
2-chloro-1-[5-(ethylsulfanylmethyl)-2,2-dimethyl-1,3-oxazolidin-3-yl]ethanone
CID 15713182
N,N-diethyl-2,2,6-trimethylmorpholine-4-carboxamide
CID 115618659
2-hydroxy-1-(2,2,6-trimethylmorpholin-4-yl)ethanone
CID 131155747
2,2-dichloro-1-(5-ethoxy-2,2-dimethylpyrrolidin-1-yl)ethanone
CID 150486044
1,2-dichloropropane;2-methyloxirane;propanoic acid
CID 88783469
2,2-dichloro-1-(4,5-dimethyl-2-propyl-1,3-oxazolidin-3-yl)ethanone
CID 71482023

Frequently Asked Questions

What is the IUPAC name of 2,2-dichloro-1-(2-ethyl-2,5-dimethyl-1,3-oxazolidin-3-yl)ethanone?
The IUPAC name of 2,2-dichloro-1-(2-ethyl-2,5-dimethyl-1,3-oxazolidin-3-yl)ethanone (CID 23043343) is 2,2-dichloro-1-(2-ethyl-2,5-dimethyl-1,3-oxazolidin-3-yl)ethanone.
What is the SMILES notation for 2,2-dichloro-1-(2-ethyl-2,5-dimethyl-1,3-oxazolidin-3-yl)ethanone?
The canonical SMILES for 2,2-dichloro-1-(2-ethyl-2,5-dimethyl-1,3-oxazolidin-3-yl)ethanone is CCC1(C)OC(C)CN1C(=O)C(Cl)Cl.
What is the InChIKey of 2,2-dichloro-1-(2-ethyl-2,5-dimethyl-1,3-oxazolidin-3-yl)ethanone?
The InChIKey is FZMPDMBGAKPJJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15Cl2NO2/c1-4-9(3)12(5-6(2)14-9)8(13)7(10)11/h6-7H,4-5H2,1-3H3.
What are the key properties of 2,2-dichloro-1-(2-ethyl-2,5-dimethyl-1,3-oxazolidin-3-yl)ethanone?
2,2-dichloro-1-(2-ethyl-2,5-dimethyl-1,3-oxazolidin-3-yl)ethanone has a molecular weight of 240.13 g/mol, XLogP of 2.16, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dichloro-1-(2-ethyl-2,5-dimethyl-1,3-oxazolidin-3-yl)ethanone is sourced from PubChem (CID 23043343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).