3-(4-methylcyclohex-3-ene-1-carbonyl)-1,3-oxazolidin-2-one;toluene

C18H23NO3 — CID 144509444

IUPAC3-(4-methylcyclohex-3-ene-1-carbonyl)-1,3-oxazolidin-2-one;toluene
SMILESCC1=CCC(C(=O)N2CCOC2=O)CC1.Cc1ccccc1
InChIInChI=1S/C11H15NO3.C7H8/c1-8-2-4-9(5-3-8)10(13)12-6-7-15-11(12)14;1-7-5-3-2-4-6-7/h2,9H,3-7H2,1H3;2-6H,1H3
InChIKeyVORZJGLBWCUJFJ-UHFFFAOYSA-N
MW301.39 g/mol
LogP3.71
Rot. Bonds1

About 3-(4-methylcyclohex-3-ene-1-carbonyl)-1,3-oxazolidin-2-one;toluene

3-(4-methylcyclohex-3-ene-1-carbonyl)-1,3-oxazolidin-2-one;toluene (PubChem CID 144509444) has the molecular formula C18H23NO3 and a molecular weight of 301.39 g/mol. Its IUPAC name is 3-(4-methylcyclohex-3-ene-1-carbonyl)-1,3-oxazolidin-2-one;toluene.

Molecular Properties

Compound Name3-(4-methylcyclohex-3-ene-1-carbonyl)-1,3-oxazolidin-2-one;toluene
PubChem CID144509444
Molecular FormulaC18H23NO3
Molecular Weight301.39 g/mol
Exact Mass301.17
IUPAC Name3-(4-methylcyclohex-3-ene-1-carbonyl)-1,3-oxazolidin-2-one;toluene
SMILESCC1=CCC(C(=O)N2CCOC2=O)CC1.Cc1ccccc1
InChIInChI=1S/C11H15NO3.C7H8/c1-8-2-4-9(5-3-8)10(13)12-6-7-15-11(12)14;1-7-5-3-2-4-6-7/h2,9H,3-7H2,1H3;2-6H,1H3
InChIKeyVORZJGLBWCUJFJ-UHFFFAOYSA-N
XLogP3.71
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

3-[(E)-pent-2-enoyl]-1,3-oxazolidin-2-one;toluene
CID 142842352
3-(3-piperidin-4-ylpropanoyl)-1,3-oxazolidin-2-one;toluene
CID 142032857
3-[(1S,2S)-2-phenylcyclopropanecarbonyl]-1,3-oxazolidin-2-one
CID 101132286
4-[2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]borinane-1-carbonitrile;toluene
CID 142033431
3-(3,4-diphenyl-4,5-dihydro-1,2-oxazole-5-carbonyl)-1,3-oxazolidin-2-one
CID 139985373
3-[3-(4-fluorophenyl)-4-phenyl-4,5-dihydro-1,2-oxazole-5-carbonyl]-1,3-oxazolidin-2-one
CID 139985376
3-[(1R)-3-methylidenecycloheptanecarbonyl]-1,3-oxazolidin-2-one
CID 135006980
3-[(4S,5S)-1-(4-methylphenyl)sulfonyl-5-[(E)-2-phenylethenyl]-2-sulfanylideneimidazolidine-4-carbonyl]-1,3-oxazolidin-2-one
CID 135065393
1-(4-methylcyclohex-3-en-1-yl)propane-1,2-dione
CID 130027299
3-[2-(2-fluorophenyl)-3-hydroxypropanoyl]-1,3-oxazolidin-2-one;toluene
CID 156875784
3-methyl-1,3-oxazinan-2-one;toluene
CID 161105180
3-[(1R,2S)-2-methylcyclohex-3-ene-1-carbonyl]-1,3-oxazolidin-2-one
CID 101221348

Frequently Asked Questions

What is the IUPAC name of 3-(4-methylcyclohex-3-ene-1-carbonyl)-1,3-oxazolidin-2-one;toluene?
The IUPAC name of 3-(4-methylcyclohex-3-ene-1-carbonyl)-1,3-oxazolidin-2-one;toluene (CID 144509444) is 3-(4-methylcyclohex-3-ene-1-carbonyl)-1,3-oxazolidin-2-one;toluene.
What is the SMILES notation for 3-(4-methylcyclohex-3-ene-1-carbonyl)-1,3-oxazolidin-2-one;toluene?
The canonical SMILES for 3-(4-methylcyclohex-3-ene-1-carbonyl)-1,3-oxazolidin-2-one;toluene is CC1=CCC(C(=O)N2CCOC2=O)CC1.Cc1ccccc1.
What is the InChIKey of 3-(4-methylcyclohex-3-ene-1-carbonyl)-1,3-oxazolidin-2-one;toluene?
The InChIKey is VORZJGLBWCUJFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO3.C7H8/c1-8-2-4-9(5-3-8)10(13)12-6-7-15-11(12)14;1-7-5-3-2-4-6-7/h2,9H,3-7H2,1H3;2-6H,1H3.
What are the key properties of 3-(4-methylcyclohex-3-ene-1-carbonyl)-1,3-oxazolidin-2-one;toluene?
3-(4-methylcyclohex-3-ene-1-carbonyl)-1,3-oxazolidin-2-one;toluene has a molecular weight of 301.39 g/mol, XLogP of 3.71, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylcyclohex-3-ene-1-carbonyl)-1,3-oxazolidin-2-one;toluene is sourced from PubChem (CID 144509444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).