2,2-dichloro-1-(1,3-oxazolidin-3-yl)pentan-1-one

C8H13Cl2NO2 — CID 67864855

IUPAC2,2-dichloro-1-(1,3-oxazolidin-3-yl)pentan-1-one
SMILESCCCC(Cl)(Cl)C(=O)N1CCOC1
InChIInChI=1S/C8H13Cl2NO2/c1-2-3-8(9,10)7(12)11-4-5-13-6-11/h2-6H2,1H3
InChIKeyUIIXTMPMFIOWIY-UHFFFAOYSA-N
MW226.10 g/mol
LogP1.78
Rot. Bonds3

About 2,2-dichloro-1-(1,3-oxazolidin-3-yl)pentan-1-one

2,2-dichloro-1-(1,3-oxazolidin-3-yl)pentan-1-one (PubChem CID 67864855) has the molecular formula C8H13Cl2NO2 and a molecular weight of 226.10 g/mol. Its IUPAC name is 2,2-dichloro-1-(1,3-oxazolidin-3-yl)pentan-1-one.

Molecular Properties

Compound Name2,2-dichloro-1-(1,3-oxazolidin-3-yl)pentan-1-one
PubChem CID67864855
Molecular FormulaC8H13Cl2NO2
Molecular Weight226.10 g/mol
Exact Mass225.03
IUPAC Name2,2-dichloro-1-(1,3-oxazolidin-3-yl)pentan-1-one
SMILESCCCC(Cl)(Cl)C(=O)N1CCOC1
InChIInChI=1S/C8H13Cl2NO2/c1-2-3-8(9,10)7(12)11-4-5-13-6-11/h2-6H2,1H3
InChIKeyUIIXTMPMFIOWIY-UHFFFAOYSA-N
XLogP1.78
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
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-fluoro-2-methyl-1-(1,3-oxazolidin-3-yl)propan-1-one
CID 166896616
1-(1,3-oxazolidin-3-yl)butane-1,3-dione
CID 127006878
ethyl 2-(1,3-oxazolidin-3-yl)prop-2-enoate
CID 175273423
2-chloro-1-(1,6-dioxa-3,9-diazacycloundec-3-yl)ethanone
CID 167204900
2-[(2-hydroxy-2-methylpentyl)amino]-1-morpholin-4-ylethanone
CID 114169442
2-(1,4-oxazepan-4-yl)-2-propylpentanoic acid
CID 114994067
2-amino-2-methyl-1-(3-methylmorpholin-4-yl)pentan-1-one
CID 60848214
2-amino-2-methyl-1-(2-methylmorpholin-4-yl)pentan-1-one
CID 60848917
2-amino-1-(3-ethylmorpholin-4-yl)-2-methylpentan-1-one
CID 60848587
2,2-difluoro-3-methoxy-1-morpholin-4-ylpropan-1-one
CID 139403937
butane;N-methylmorpholine-4-carboxamide;propane
CID 143336598
2-chloro-1-morpholin-4-ylbutan-1-one
CID 62226878

Frequently Asked Questions

What is the IUPAC name of 2,2-dichloro-1-(1,3-oxazolidin-3-yl)pentan-1-one?
The IUPAC name of 2,2-dichloro-1-(1,3-oxazolidin-3-yl)pentan-1-one (CID 67864855) is 2,2-dichloro-1-(1,3-oxazolidin-3-yl)pentan-1-one.
What is the SMILES notation for 2,2-dichloro-1-(1,3-oxazolidin-3-yl)pentan-1-one?
The canonical SMILES for 2,2-dichloro-1-(1,3-oxazolidin-3-yl)pentan-1-one is CCCC(Cl)(Cl)C(=O)N1CCOC1.
What is the InChIKey of 2,2-dichloro-1-(1,3-oxazolidin-3-yl)pentan-1-one?
The InChIKey is UIIXTMPMFIOWIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13Cl2NO2/c1-2-3-8(9,10)7(12)11-4-5-13-6-11/h2-6H2,1H3.
What are the key properties of 2,2-dichloro-1-(1,3-oxazolidin-3-yl)pentan-1-one?
2,2-dichloro-1-(1,3-oxazolidin-3-yl)pentan-1-one has a molecular weight of 226.10 g/mol, XLogP of 1.78, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dichloro-1-(1,3-oxazolidin-3-yl)pentan-1-one is sourced from PubChem (CID 67864855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).