1-(2,2,3-trimethyl-1,3-oxazolidin-4-yl)propan-1-one

C9H17NO2 — CID 59110310

IUPAC1-(2,2,3-trimethyl-1,3-oxazolidin-4-yl)propan-1-one
SMILESCCC(=O)C1COC(C)(C)N1C
InChIInChI=1S/C9H17NO2/c1-5-8(11)7-6-12-9(2,3)10(7)4/h7H,5-6H2,1-4H3
InChIKeyVQJPLGRNTWFVEP-UHFFFAOYSA-N
MW171.24 g/mol
LogP1.03
Rot. Bonds2

About 1-(2,2,3-trimethyl-1,3-oxazolidin-4-yl)propan-1-one

1-(2,2,3-trimethyl-1,3-oxazolidin-4-yl)propan-1-one (PubChem CID 59110310) has the molecular formula C9H17NO2 and a molecular weight of 171.24 g/mol. Its IUPAC name is 1-(2,2,3-trimethyl-1,3-oxazolidin-4-yl)propan-1-one.

Molecular Properties

Compound Name1-(2,2,3-trimethyl-1,3-oxazolidin-4-yl)propan-1-one
PubChem CID59110310
Molecular FormulaC9H17NO2
Molecular Weight171.24 g/mol
Exact Mass171.13
IUPAC Name1-(2,2,3-trimethyl-1,3-oxazolidin-4-yl)propan-1-one
SMILESCCC(=O)C1COC(C)(C)N1C
InChIInChI=1S/C9H17NO2/c1-5-8(11)7-6-12-9(2,3)10(7)4/h7H,5-6H2,1-4H3
InChIKeyVQJPLGRNTWFVEP-UHFFFAOYSA-N
XLogP1.03
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 51.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2,2,3-trimethyl-1,3-oxazolidin-4-yl)propan-1-one?
The IUPAC name of 1-(2,2,3-trimethyl-1,3-oxazolidin-4-yl)propan-1-one (CID 59110310) is 1-(2,2,3-trimethyl-1,3-oxazolidin-4-yl)propan-1-one.
What is the SMILES notation for 1-(2,2,3-trimethyl-1,3-oxazolidin-4-yl)propan-1-one?
The canonical SMILES for 1-(2,2,3-trimethyl-1,3-oxazolidin-4-yl)propan-1-one is CCC(=O)C1COC(C)(C)N1C.
What is the InChIKey of 1-(2,2,3-trimethyl-1,3-oxazolidin-4-yl)propan-1-one?
The InChIKey is VQJPLGRNTWFVEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO2/c1-5-8(11)7-6-12-9(2,3)10(7)4/h7H,5-6H2,1-4H3.
What are the key properties of 1-(2,2,3-trimethyl-1,3-oxazolidin-4-yl)propan-1-one?
1-(2,2,3-trimethyl-1,3-oxazolidin-4-yl)propan-1-one has a molecular weight of 171.24 g/mol, XLogP of 1.03, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2,3-trimethyl-1,3-oxazolidin-4-yl)propan-1-one is sourced from PubChem (CID 59110310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).