5-cyclohexa-2,4-dien-1-yl-4-ethyl-1,3-oxazolidin-2-one

C11H15NO2 — CID 123858784

IUPAC5-cyclohexa-2,4-dien-1-yl-4-ethyl-1,3-oxazolidin-2-one
SMILESCCC1NC(=O)OC1C1C=CC=CC1
InChIInChI=1S/C11H15NO2/c1-2-9-10(14-11(13)12-9)8-6-4-3-5-7-8/h3-6,8-10H,2,7H2,1H3,(H,12,13)
InChIKeyPZCBUVAAPJQLGN-UHFFFAOYSA-N
MW193.25 g/mol
LogP2.01
Rot. Bonds2

About 5-cyclohexa-2,4-dien-1-yl-4-ethyl-1,3-oxazolidin-2-one

5-cyclohexa-2,4-dien-1-yl-4-ethyl-1,3-oxazolidin-2-one (PubChem CID 123858784) has the molecular formula C11H15NO2 and a molecular weight of 193.25 g/mol. Its IUPAC name is 5-cyclohexa-2,4-dien-1-yl-4-ethyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name5-cyclohexa-2,4-dien-1-yl-4-ethyl-1,3-oxazolidin-2-one
PubChem CID123858784
Molecular FormulaC11H15NO2
Molecular Weight193.25 g/mol
Exact Mass193.11
IUPAC Name5-cyclohexa-2,4-dien-1-yl-4-ethyl-1,3-oxazolidin-2-one
SMILESCCC1NC(=O)OC1C1C=CC=CC1
InChIInChI=1S/C11H15NO2/c1-2-9-10(14-11(13)12-9)8-6-4-3-5-7-8/h3-6,8-10H,2,7H2,1H3,(H,12,13)
InChIKeyPZCBUVAAPJQLGN-UHFFFAOYSA-N
XLogP2.01
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-cyclohexa-2,4-dien-1-yl-4-ethyl-1,3-oxazolidin-2-one?
The IUPAC name of 5-cyclohexa-2,4-dien-1-yl-4-ethyl-1,3-oxazolidin-2-one (CID 123858784) is 5-cyclohexa-2,4-dien-1-yl-4-ethyl-1,3-oxazolidin-2-one.
What is the SMILES notation for 5-cyclohexa-2,4-dien-1-yl-4-ethyl-1,3-oxazolidin-2-one?
The canonical SMILES for 5-cyclohexa-2,4-dien-1-yl-4-ethyl-1,3-oxazolidin-2-one is CCC1NC(=O)OC1C1C=CC=CC1.
What is the InChIKey of 5-cyclohexa-2,4-dien-1-yl-4-ethyl-1,3-oxazolidin-2-one?
The InChIKey is PZCBUVAAPJQLGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO2/c1-2-9-10(14-11(13)12-9)8-6-4-3-5-7-8/h3-6,8-10H,2,7H2,1H3,(H,12,13).
What are the key properties of 5-cyclohexa-2,4-dien-1-yl-4-ethyl-1,3-oxazolidin-2-one?
5-cyclohexa-2,4-dien-1-yl-4-ethyl-1,3-oxazolidin-2-one has a molecular weight of 193.25 g/mol, XLogP of 2.01, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclohexa-2,4-dien-1-yl-4-ethyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 123858784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).