3-propanoyl-1,3-oxazolidin-2-one

C6H9NO3 — CID 641554

IUPAC3-propanoyl-1,3-oxazolidin-2-one
SMILESCCC(=O)N1CCOC1=O
InChIInChI=1S/C6H9NO3/c1-2-5(8)7-3-4-10-6(7)9/h2-4H2,1H3
InChIKeyXXUOGAYBSXZFTD-UHFFFAOYSA-N
MW143.14 g/mol
LogP0.38
Rot. Bonds1

About 3-propanoyl-1,3-oxazolidin-2-one

3-propanoyl-1,3-oxazolidin-2-one (PubChem CID 641554) has the molecular formula C6H9NO3 and a molecular weight of 143.14 g/mol. Its IUPAC name is 3-propanoyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-propanoyl-1,3-oxazolidin-2-one
PubChem CID641554
Molecular FormulaC6H9NO3
Molecular Weight143.14 g/mol
Exact Mass143.06
IUPAC Name3-propanoyl-1,3-oxazolidin-2-one
SMILESCCC(=O)N1CCOC1=O
InChIInChI=1S/C6H9NO3/c1-2-5(8)7-3-4-10-6(7)9/h2-4H2,1H3
InChIKeyXXUOGAYBSXZFTD-UHFFFAOYSA-N
XLogP0.38
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.14
LogP ≤ 50.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-Ethyl-1,3-oxazolidin-2-one
CID 350825
3-Acetyl-2-oxazolidinone
CID 538766
4-Isopropyl-3-propionyl-2-oxazolidinone
CID 190974
3-(1,3-Dioxobutyl)oxazolidin-2-one
CID 379157
3-Butyl-1,3-oxazolidin-2-one
CID 567723
3-(2-Oxo-1,3-oxazolidin-3-yl)propanal
CID 11615183
Ethyl 2-oxopyrrolidine-1-carboxylate
CID 234959
(4R)-3-Propanoyl-4-(propan-2-yl)-1,3-oxazolidin-2-one
CID 643512
(S)-(+)-4-Isopropyl-3-propionyl-2-oxazolidinone
CID 853160
3-(2,2-Dimethylpropanoyl)-1,3-oxazolidin-2-one
CID 9989671
N,N-dimethyl-3-(2-oxo-1,3-oxazolidin-3-yl)propanamide
CID 145884688
3-(3,3,3-Trifluoropropanoyl)-1,3-oxazolidin-2-one
CID 134860304

Frequently Asked Questions

What is the IUPAC name of 3-propanoyl-1,3-oxazolidin-2-one?
The IUPAC name of 3-propanoyl-1,3-oxazolidin-2-one (CID 641554) is 3-propanoyl-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-propanoyl-1,3-oxazolidin-2-one?
The canonical SMILES for 3-propanoyl-1,3-oxazolidin-2-one is CCC(=O)N1CCOC1=O.
What is the InChIKey of 3-propanoyl-1,3-oxazolidin-2-one?
The InChIKey is XXUOGAYBSXZFTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9NO3/c1-2-5(8)7-3-4-10-6(7)9/h2-4H2,1H3.
What are the key properties of 3-propanoyl-1,3-oxazolidin-2-one?
3-propanoyl-1,3-oxazolidin-2-one has a molecular weight of 143.14 g/mol, XLogP of 0.38, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propanoyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 641554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).