3-[1-(hydroxymethyl)-3-methylcyclohexyl]-1,3-oxazolidin-2-one

C11H19NO3 — CID 104549528

IUPAC3-[1-(hydroxymethyl)-3-methylcyclohexyl]-1,3-oxazolidin-2-one
SMILESCC1CCCC(CO)(N2CCOC2=O)C1
InChIInChI=1S/C11H19NO3/c1-9-3-2-4-11(7-9,8-13)12-5-6-15-10(12)14/h9,13H,2-8H2,1H3
InChIKeyQCVUGIFKZFIGLM-UHFFFAOYSA-N
MW213.28 g/mol
LogP1.38
Rot. Bonds2

About 3-[1-(hydroxymethyl)-3-methylcyclohexyl]-1,3-oxazolidin-2-one

3-[1-(hydroxymethyl)-3-methylcyclohexyl]-1,3-oxazolidin-2-one (PubChem CID 104549528) has the molecular formula C11H19NO3 and a molecular weight of 213.28 g/mol. Its IUPAC name is 3-[1-(hydroxymethyl)-3-methylcyclohexyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[1-(hydroxymethyl)-3-methylcyclohexyl]-1,3-oxazolidin-2-one
PubChem CID104549528
Molecular FormulaC11H19NO3
Molecular Weight213.28 g/mol
Exact Mass213.14
IUPAC Name3-[1-(hydroxymethyl)-3-methylcyclohexyl]-1,3-oxazolidin-2-one
SMILESCC1CCCC(CO)(N2CCOC2=O)C1
InChIInChI=1S/C11H19NO3/c1-9-3-2-4-11(7-9,8-13)12-5-6-15-10(12)14/h9,13H,2-8H2,1H3
InChIKeyQCVUGIFKZFIGLM-UHFFFAOYSA-N
XLogP1.38
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[1-(hydroxymethyl)-3-methylcyclohexyl]-1,3-oxazolidin-2-one?
The IUPAC name of 3-[1-(hydroxymethyl)-3-methylcyclohexyl]-1,3-oxazolidin-2-one (CID 104549528) is 3-[1-(hydroxymethyl)-3-methylcyclohexyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[1-(hydroxymethyl)-3-methylcyclohexyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[1-(hydroxymethyl)-3-methylcyclohexyl]-1,3-oxazolidin-2-one is CC1CCCC(CO)(N2CCOC2=O)C1.
What is the InChIKey of 3-[1-(hydroxymethyl)-3-methylcyclohexyl]-1,3-oxazolidin-2-one?
The InChIKey is QCVUGIFKZFIGLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO3/c1-9-3-2-4-11(7-9,8-13)12-5-6-15-10(12)14/h9,13H,2-8H2,1H3.
What are the key properties of 3-[1-(hydroxymethyl)-3-methylcyclohexyl]-1,3-oxazolidin-2-one?
3-[1-(hydroxymethyl)-3-methylcyclohexyl]-1,3-oxazolidin-2-one has a molecular weight of 213.28 g/mol, XLogP of 1.38, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(hydroxymethyl)-3-methylcyclohexyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 104549528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).