3-acetyl-4-ethyl-1,3-oxazolidin-2-one

C7H11NO3 — CID 13471868

IUPAC3-acetyl-4-ethyl-1,3-oxazolidin-2-one
SMILESCCC1COC(=O)N1C(C)=O
InChIInChI=1S/C7H11NO3/c1-3-6-4-11-7(10)8(6)5(2)9/h6H,3-4H2,1-2H3
InChIKeyPWOGNRMFNNLQKF-UHFFFAOYSA-N
MW157.17 g/mol
LogP0.76
Rot. Bonds1

About 3-acetyl-4-ethyl-1,3-oxazolidin-2-one

3-acetyl-4-ethyl-1,3-oxazolidin-2-one (PubChem CID 13471868) has the molecular formula C7H11NO3 and a molecular weight of 157.17 g/mol. Its IUPAC name is 3-acetyl-4-ethyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-acetyl-4-ethyl-1,3-oxazolidin-2-one
PubChem CID13471868
Molecular FormulaC7H11NO3
Molecular Weight157.17 g/mol
Exact Mass157.07
IUPAC Name3-acetyl-4-ethyl-1,3-oxazolidin-2-one
SMILESCCC1COC(=O)N1C(C)=O
InChIInChI=1S/C7H11NO3/c1-3-6-4-11-7(10)8(6)5(2)9/h6H,3-4H2,1-2H3
InChIKeyPWOGNRMFNNLQKF-UHFFFAOYSA-N
XLogP0.76
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.17
LogP ≤ 50.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-acetyl-4-ethyl-1,3-oxazolidin-2-one?
The IUPAC name of 3-acetyl-4-ethyl-1,3-oxazolidin-2-one (CID 13471868) is 3-acetyl-4-ethyl-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-acetyl-4-ethyl-1,3-oxazolidin-2-one?
The canonical SMILES for 3-acetyl-4-ethyl-1,3-oxazolidin-2-one is CCC1COC(=O)N1C(C)=O.
What is the InChIKey of 3-acetyl-4-ethyl-1,3-oxazolidin-2-one?
The InChIKey is PWOGNRMFNNLQKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO3/c1-3-6-4-11-7(10)8(6)5(2)9/h6H,3-4H2,1-2H3.
What are the key properties of 3-acetyl-4-ethyl-1,3-oxazolidin-2-one?
3-acetyl-4-ethyl-1,3-oxazolidin-2-one has a molecular weight of 157.17 g/mol, XLogP of 0.76, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetyl-4-ethyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 13471868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).