5,5-dimethyl-3-propyl-1,3-oxazolidine-2,4-dione

C8H13NO3 — CID 59841136

IUPAC5,5-dimethyl-3-propyl-1,3-oxazolidine-2,4-dione
SMILESCCCN1C(=O)OC(C)(C)C1=O
InChIInChI=1S/C8H13NO3/c1-4-5-9-6(10)8(2,3)12-7(9)11/h4-5H2,1-3H3
InChIKeyCVLQECIGSRLALZ-UHFFFAOYSA-N
MW171.20 g/mol
LogP1.15
Rot. Bonds2

About 5,5-dimethyl-3-propyl-1,3-oxazolidine-2,4-dione

5,5-dimethyl-3-propyl-1,3-oxazolidine-2,4-dione (PubChem CID 59841136) has the molecular formula C8H13NO3 and a molecular weight of 171.20 g/mol. Its IUPAC name is 5,5-dimethyl-3-propyl-1,3-oxazolidine-2,4-dione.

Molecular Properties

Compound Name5,5-dimethyl-3-propyl-1,3-oxazolidine-2,4-dione
PubChem CID59841136
Molecular FormulaC8H13NO3
Molecular Weight171.20 g/mol
Exact Mass171.09
IUPAC Name5,5-dimethyl-3-propyl-1,3-oxazolidine-2,4-dione
SMILESCCCN1C(=O)OC(C)(C)C1=O
InChIInChI=1S/C8H13NO3/c1-4-5-9-6(10)8(2,3)12-7(9)11/h4-5H2,1-3H3
InChIKeyCVLQECIGSRLALZ-UHFFFAOYSA-N
XLogP1.15
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.20
LogP ≤ 51.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Trimethadione
CID 5576
Paramethadione
CID 8280
Ethadione
CID 10630
3-Tert-butyl-5,5-dimethyl-1,3-oxazolidine-2,4-dione
CID 12517715
(5S)-5-ethyl-3,5-dimethyl-1,3-oxazolidine-2,4-dione
CID 51380896
5,5-Dimethyl-3-propionyloxazolidin-2-one
CID 10535181
(S)-3-(1'-Oxopropyl)-4,5,5-trimethyloxazolidin-2-one
CID 15369461
5,5-Diethyl-3-methyl-1,3-oxazolidine-2,4-dione
CID 59834711
3-(3-(Diethylamino)propyl)-5-methyl-2,4-oxazolidinedione
CID 3029637
3-(3-(Dimethylamino)propyl)-5-methyl-2,4-oxazolidinedione
CID 3029639
2,4-Oxazolidinedione, 3-isobutyl-5-methyl-
CID 3029670
2,4-Dioxo-N,N,N,5,5-pentamethyl-3-oxazolidinebutanaminium iodide
CID 11971969

Frequently Asked Questions

What is the IUPAC name of 5,5-dimethyl-3-propyl-1,3-oxazolidine-2,4-dione?
The IUPAC name of 5,5-dimethyl-3-propyl-1,3-oxazolidine-2,4-dione (CID 59841136) is 5,5-dimethyl-3-propyl-1,3-oxazolidine-2,4-dione.
What is the SMILES notation for 5,5-dimethyl-3-propyl-1,3-oxazolidine-2,4-dione?
The canonical SMILES for 5,5-dimethyl-3-propyl-1,3-oxazolidine-2,4-dione is CCCN1C(=O)OC(C)(C)C1=O.
What is the InChIKey of 5,5-dimethyl-3-propyl-1,3-oxazolidine-2,4-dione?
The InChIKey is CVLQECIGSRLALZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO3/c1-4-5-9-6(10)8(2,3)12-7(9)11/h4-5H2,1-3H3.
What are the key properties of 5,5-dimethyl-3-propyl-1,3-oxazolidine-2,4-dione?
5,5-dimethyl-3-propyl-1,3-oxazolidine-2,4-dione has a molecular weight of 171.20 g/mol, XLogP of 1.15, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dimethyl-3-propyl-1,3-oxazolidine-2,4-dione is sourced from PubChem (CID 59841136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).