4-(4,4-dimethylpenta-1,2-dienyl)-1,3-oxazolidin-2-one

C10H15NO2 — CID 118600707

IUPAC4-(4,4-dimethylpenta-1,2-dienyl)-1,3-oxazolidin-2-one
SMILESCC(C)(C)C=C=CC1COC(=O)N1
InChIInChI=1S/C10H15NO2/c1-10(2,3)6-4-5-8-7-13-9(12)11-8/h5-6,8H,7H2,1-3H3,(H,11,12)
InChIKeyFJXKPDSONJAYLU-UHFFFAOYSA-N
MW181.23 g/mol
LogP1.85
Rot. Bonds1

About 4-(4,4-dimethylpenta-1,2-dienyl)-1,3-oxazolidin-2-one

4-(4,4-dimethylpenta-1,2-dienyl)-1,3-oxazolidin-2-one (PubChem CID 118600707) has the molecular formula C10H15NO2 and a molecular weight of 181.23 g/mol. Its IUPAC name is 4-(4,4-dimethylpenta-1,2-dienyl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name4-(4,4-dimethylpenta-1,2-dienyl)-1,3-oxazolidin-2-one
PubChem CID118600707
Molecular FormulaC10H15NO2
Molecular Weight181.23 g/mol
Exact Mass181.11
IUPAC Name4-(4,4-dimethylpenta-1,2-dienyl)-1,3-oxazolidin-2-one
SMILESCC(C)(C)C=C=CC1COC(=O)N1
InChIInChI=1S/C10H15NO2/c1-10(2,3)6-4-5-8-7-13-9(12)11-8/h5-6,8H,7H2,1-3H3,(H,11,12)
InChIKeyFJXKPDSONJAYLU-UHFFFAOYSA-N
XLogP1.85
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.23
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(4,4-dimethylpenta-1,2-dienyl)-1,3-oxazolidin-2-one?
The IUPAC name of 4-(4,4-dimethylpenta-1,2-dienyl)-1,3-oxazolidin-2-one (CID 118600707) is 4-(4,4-dimethylpenta-1,2-dienyl)-1,3-oxazolidin-2-one.
What is the SMILES notation for 4-(4,4-dimethylpenta-1,2-dienyl)-1,3-oxazolidin-2-one?
The canonical SMILES for 4-(4,4-dimethylpenta-1,2-dienyl)-1,3-oxazolidin-2-one is CC(C)(C)C=C=CC1COC(=O)N1.
What is the InChIKey of 4-(4,4-dimethylpenta-1,2-dienyl)-1,3-oxazolidin-2-one?
The InChIKey is FJXKPDSONJAYLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO2/c1-10(2,3)6-4-5-8-7-13-9(12)11-8/h5-6,8H,7H2,1-3H3,(H,11,12).
What are the key properties of 4-(4,4-dimethylpenta-1,2-dienyl)-1,3-oxazolidin-2-one?
4-(4,4-dimethylpenta-1,2-dienyl)-1,3-oxazolidin-2-one has a molecular weight of 181.23 g/mol, XLogP of 1.85, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4,4-dimethylpenta-1,2-dienyl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 118600707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).