5-cyclohexyl-1,3-oxazolidine-2,4-dione

C9H13NO3 — CID 70545794

IUPAC5-cyclohexyl-1,3-oxazolidine-2,4-dione
SMILESO=C1NC(=O)C(C2CCCCC2)O1
InChIInChI=1S/C9H13NO3/c11-8-7(13-9(12)10-8)6-4-2-1-3-5-6/h6-7H,1-5H2,(H,10,11,12)
InChIKeyPTXAFGPICLWJMS-UHFFFAOYSA-N
MW183.21 g/mol
LogP1.20
Rot. Bonds1

About 5-cyclohexyl-1,3-oxazolidine-2,4-dione

5-cyclohexyl-1,3-oxazolidine-2,4-dione (PubChem CID 70545794) has the molecular formula C9H13NO3 and a molecular weight of 183.21 g/mol. Its IUPAC name is 5-cyclohexyl-1,3-oxazolidine-2,4-dione.

Molecular Properties

Compound Name5-cyclohexyl-1,3-oxazolidine-2,4-dione
PubChem CID70545794
Molecular FormulaC9H13NO3
Molecular Weight183.21 g/mol
Exact Mass183.09
IUPAC Name5-cyclohexyl-1,3-oxazolidine-2,4-dione
SMILESO=C1NC(=O)C(C2CCCCC2)O1
InChIInChI=1S/C9H13NO3/c11-8-7(13-9(12)10-8)6-4-2-1-3-5-6/h6-7H,1-5H2,(H,10,11,12)
InChIKeyPTXAFGPICLWJMS-UHFFFAOYSA-N
XLogP1.20
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.21
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-cyclohexyl-1,3-oxazolidine-2,4-dione?
The IUPAC name of 5-cyclohexyl-1,3-oxazolidine-2,4-dione (CID 70545794) is 5-cyclohexyl-1,3-oxazolidine-2,4-dione.
What is the SMILES notation for 5-cyclohexyl-1,3-oxazolidine-2,4-dione?
The canonical SMILES for 5-cyclohexyl-1,3-oxazolidine-2,4-dione is O=C1NC(=O)C(C2CCCCC2)O1.
What is the InChIKey of 5-cyclohexyl-1,3-oxazolidine-2,4-dione?
The InChIKey is PTXAFGPICLWJMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO3/c11-8-7(13-9(12)10-8)6-4-2-1-3-5-6/h6-7H,1-5H2,(H,10,11,12).
What are the key properties of 5-cyclohexyl-1,3-oxazolidine-2,4-dione?
5-cyclohexyl-1,3-oxazolidine-2,4-dione has a molecular weight of 183.21 g/mol, XLogP of 1.20, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclohexyl-1,3-oxazolidine-2,4-dione is sourced from PubChem (CID 70545794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).