3-ethyl-5,5-dimethyl-1,3-oxazolidin-2-one

C7H13NO2 — CID 12597414

IUPAC3-ethyl-5,5-dimethyl-1,3-oxazolidin-2-one
SMILESCCN1CC(C)(C)OC1=O
InChIInChI=1S/C7H13NO2/c1-4-8-5-7(2,3)10-6(8)9/h4-5H2,1-3H3
InChIKeyCILDSHABJCYQRO-UHFFFAOYSA-N
MW143.19 g/mol
LogP1.24
Rot. Bonds1

About 3-ethyl-5,5-dimethyl-1,3-oxazolidin-2-one

3-ethyl-5,5-dimethyl-1,3-oxazolidin-2-one (PubChem CID 12597414) has the molecular formula C7H13NO2 and a molecular weight of 143.19 g/mol. Its IUPAC name is 3-ethyl-5,5-dimethyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-ethyl-5,5-dimethyl-1,3-oxazolidin-2-one
PubChem CID12597414
Molecular FormulaC7H13NO2
Molecular Weight143.19 g/mol
Exact Mass143.09
IUPAC Name3-ethyl-5,5-dimethyl-1,3-oxazolidin-2-one
SMILESCCN1CC(C)(C)OC1=O
InChIInChI=1S/C7H13NO2/c1-4-8-5-7(2,3)10-6(8)9/h4-5H2,1-3H3
InChIKeyCILDSHABJCYQRO-UHFFFAOYSA-N
XLogP1.24
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.19
LogP ≤ 51.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Ethadione
CID 10630
N-Boc-pyrrolidine
CID 643455
3-Butyl-1,3-oxazolidin-2-one
CID 567723
US10214537, Example 162
CID 58799596
3,5-Dimethyl-1,3-oxazolidin-2-one
CID 13432443
5,5-Dimethyl-3-propionyloxazolidin-2-one
CID 10535181
3-Propyl-1,3-oxazolidin-2-one
CID 12238104
2-Oxazolidinone, 3,5,5-trimethyl-
CID 12318030
5-Methyl-3-propyl-1,3-oxazolidin-2-one
CID 13547987
2-Oxazolidinone, 5,5-diethyl-3-methyl-
CID 22000683
CID 58371794
CID 58371794
3-Chloro-5,5-dimethyl-1,3-oxazolidin-2-one
CID 21489344

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-5,5-dimethyl-1,3-oxazolidin-2-one?
The IUPAC name of 3-ethyl-5,5-dimethyl-1,3-oxazolidin-2-one (CID 12597414) is 3-ethyl-5,5-dimethyl-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-ethyl-5,5-dimethyl-1,3-oxazolidin-2-one?
The canonical SMILES for 3-ethyl-5,5-dimethyl-1,3-oxazolidin-2-one is CCN1CC(C)(C)OC1=O.
What is the InChIKey of 3-ethyl-5,5-dimethyl-1,3-oxazolidin-2-one?
The InChIKey is CILDSHABJCYQRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO2/c1-4-8-5-7(2,3)10-6(8)9/h4-5H2,1-3H3.
What are the key properties of 3-ethyl-5,5-dimethyl-1,3-oxazolidin-2-one?
3-ethyl-5,5-dimethyl-1,3-oxazolidin-2-one has a molecular weight of 143.19 g/mol, XLogP of 1.24, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-5,5-dimethyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 12597414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).