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

C8H13Cl2NO2 — CID 12906840

IUPAC2,2-dichloro-1-(2-ethyl-2-methyl-1,3-oxazolidin-3-yl)ethanone
SMILESCCC1(C)OCCN1C(=O)C(Cl)Cl
InChIInChI=1S/C8H13Cl2NO2/c1-3-8(2)11(4-5-13-8)7(12)6(9)10/h6H,3-5H2,1-2H3
InChIKeyYLEUMSABWPPFDG-UHFFFAOYSA-N
MW226.10 g/mol
LogP1.78
Rot. Bonds2

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

2,2-dichloro-1-(2-ethyl-2-methyl-1,3-oxazolidin-3-yl)ethanone (PubChem CID 12906840) has the molecular formula C8H13Cl2NO2 and a molecular weight of 226.10 g/mol. Its IUPAC name is 2,2-dichloro-1-(2-ethyl-2-methyl-1,3-oxazolidin-3-yl)ethanone.

Molecular Properties

Compound Name2,2-dichloro-1-(2-ethyl-2-methyl-1,3-oxazolidin-3-yl)ethanone
PubChem CID12906840
Molecular FormulaC8H13Cl2NO2
Molecular Weight226.10 g/mol
Exact Mass225.03
IUPAC Name2,2-dichloro-1-(2-ethyl-2-methyl-1,3-oxazolidin-3-yl)ethanone
SMILESCCC1(C)OCCN1C(=O)C(Cl)Cl
InChIInChI=1S/C8H13Cl2NO2/c1-3-8(2)11(4-5-13-8)7(12)6(9)10/h6H,3-5H2,1-2H3
InChIKeyYLEUMSABWPPFDG-UHFFFAOYSA-N
XLogP1.78
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.10
LogP ≤ 51.78
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-(2,2-dimethyl-1,3-oxazolidin-3-yl)ethanone
CID 11492198
2,2-dichloro-1-(2-ethyl-2,5-dimethyl-1,3-oxazolidin-3-yl)ethanone
CID 23043343
2,2-dichloro-1-[(4R)-4-ethyl-2,2-dimethyl-1,3-oxazolidin-3-yl]ethanone
CID 70676873
2-bromo-1-(2,2-dimethyl-1,3-oxazolidin-3-yl)ethanone
CID 147851461
2,2-dichloro-1-(2-methyl-1,3-dioxolan-2-yl)ethanone
CID 21471052
(E)-1,4-bis(2,2-dimethyl-1,3-oxazolidin-3-yl)but-2-ene-1,4-dione
CID 11150237
2-chloro-1-(4-ethyl-4-methylpiperidin-1-yl)propan-1-one
CID 63158562
(2S)-2-amino-1-(3,3-dimethylmorpholin-4-yl)butan-1-one
CID 79022791
1-(2,2-dichloroacetyl)-7a-methyl-2,3,6,7-tetrahydropyrrolo[1,2-a]imidazol-5-one
CID 12923517
2-chloro-1-morpholin-4-ylbutan-1-one
CID 62226878
N-ethyl-2,2-dimethylmorpholine-4-carboxamide
CID 115583911
1-(3,3-dimethylmorpholin-4-yl)-2-methoxypropan-1-one
CID 48521768

Frequently Asked Questions

What is the IUPAC name of 2,2-dichloro-1-(2-ethyl-2-methyl-1,3-oxazolidin-3-yl)ethanone?
The IUPAC name of 2,2-dichloro-1-(2-ethyl-2-methyl-1,3-oxazolidin-3-yl)ethanone (CID 12906840) is 2,2-dichloro-1-(2-ethyl-2-methyl-1,3-oxazolidin-3-yl)ethanone.
What is the SMILES notation for 2,2-dichloro-1-(2-ethyl-2-methyl-1,3-oxazolidin-3-yl)ethanone?
The canonical SMILES for 2,2-dichloro-1-(2-ethyl-2-methyl-1,3-oxazolidin-3-yl)ethanone is CCC1(C)OCCN1C(=O)C(Cl)Cl.
What is the InChIKey of 2,2-dichloro-1-(2-ethyl-2-methyl-1,3-oxazolidin-3-yl)ethanone?
The InChIKey is YLEUMSABWPPFDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13Cl2NO2/c1-3-8(2)11(4-5-13-8)7(12)6(9)10/h6H,3-5H2,1-2H3.
What are the key properties of 2,2-dichloro-1-(2-ethyl-2-methyl-1,3-oxazolidin-3-yl)ethanone?
2,2-dichloro-1-(2-ethyl-2-methyl-1,3-oxazolidin-3-yl)ethanone has a molecular weight of 226.10 g/mol, XLogP of 1.78, 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-methyl-1,3-oxazolidin-3-yl)ethanone is sourced from PubChem (CID 12906840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).