5-(4,4-dimethylcyclohexyl)-1,3-oxazolidin-2-one

C11H19NO2 — CID 130596283

IUPAC5-(4,4-dimethylcyclohexyl)-1,3-oxazolidin-2-one
SMILESCC1(C)CCC(C2CNC(=O)O2)CC1
InChIInChI=1S/C11H19NO2/c1-11(2)5-3-8(4-6-11)9-7-12-10(13)14-9/h8-9H,3-7H2,1-2H3,(H,12,13)
InChIKeyQDGHHPAPIAUHFN-UHFFFAOYSA-N
MW197.28 g/mol
LogP2.31
Rot. Bonds1

About 5-(4,4-dimethylcyclohexyl)-1,3-oxazolidin-2-one

5-(4,4-dimethylcyclohexyl)-1,3-oxazolidin-2-one (PubChem CID 130596283) has the molecular formula C11H19NO2 and a molecular weight of 197.28 g/mol. Its IUPAC name is 5-(4,4-dimethylcyclohexyl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name5-(4,4-dimethylcyclohexyl)-1,3-oxazolidin-2-one
PubChem CID130596283
Molecular FormulaC11H19NO2
Molecular Weight197.28 g/mol
Exact Mass197.14
IUPAC Name5-(4,4-dimethylcyclohexyl)-1,3-oxazolidin-2-one
SMILESCC1(C)CCC(C2CNC(=O)O2)CC1
InChIInChI=1S/C11H19NO2/c1-11(2)5-3-8(4-6-11)9-7-12-10(13)14-9/h8-9H,3-7H2,1-2H3,(H,12,13)
InChIKeyQDGHHPAPIAUHFN-UHFFFAOYSA-N
XLogP2.31
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(4,4-dimethylcyclohexyl)-1,3-oxazolidin-2-one?
The IUPAC name of 5-(4,4-dimethylcyclohexyl)-1,3-oxazolidin-2-one (CID 130596283) is 5-(4,4-dimethylcyclohexyl)-1,3-oxazolidin-2-one.
What is the SMILES notation for 5-(4,4-dimethylcyclohexyl)-1,3-oxazolidin-2-one?
The canonical SMILES for 5-(4,4-dimethylcyclohexyl)-1,3-oxazolidin-2-one is CC1(C)CCC(C2CNC(=O)O2)CC1.
What is the InChIKey of 5-(4,4-dimethylcyclohexyl)-1,3-oxazolidin-2-one?
The InChIKey is QDGHHPAPIAUHFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO2/c1-11(2)5-3-8(4-6-11)9-7-12-10(13)14-9/h8-9H,3-7H2,1-2H3,(H,12,13).
What are the key properties of 5-(4,4-dimethylcyclohexyl)-1,3-oxazolidin-2-one?
5-(4,4-dimethylcyclohexyl)-1,3-oxazolidin-2-one has a molecular weight of 197.28 g/mol, XLogP of 2.31, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4,4-dimethylcyclohexyl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 130596283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).