3-(4-methylcyclohexyl)-1,3-oxazinan-2-one

C11H19NO2 — CID 58893242

IUPAC3-(4-methylcyclohexyl)-1,3-oxazinan-2-one
SMILESCC1CCC(N2CCCOC2=O)CC1
InChIInChI=1S/C11H19NO2/c1-9-3-5-10(6-4-9)12-7-2-8-14-11(12)13/h9-10H,2-8H2,1H3
InChIKeyLPYFNJJNMUOUMA-UHFFFAOYSA-N
MW197.28 g/mol
LogP2.41
Rot. Bonds1

About 3-(4-methylcyclohexyl)-1,3-oxazinan-2-one

3-(4-methylcyclohexyl)-1,3-oxazinan-2-one (PubChem CID 58893242) has the molecular formula C11H19NO2 and a molecular weight of 197.28 g/mol. Its IUPAC name is 3-(4-methylcyclohexyl)-1,3-oxazinan-2-one.

Molecular Properties

Compound Name3-(4-methylcyclohexyl)-1,3-oxazinan-2-one
PubChem CID58893242
Molecular FormulaC11H19NO2
Molecular Weight197.28 g/mol
Exact Mass197.14
IUPAC Name3-(4-methylcyclohexyl)-1,3-oxazinan-2-one
SMILESCC1CCC(N2CCCOC2=O)CC1
InChIInChI=1S/C11H19NO2/c1-9-3-5-10(6-4-9)12-7-2-8-14-11(12)13/h9-10H,2-8H2,1H3
InChIKeyLPYFNJJNMUOUMA-UHFFFAOYSA-N
XLogP2.41
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(4-methylcyclohexyl)-1,3-oxazinan-2-one?
The IUPAC name of 3-(4-methylcyclohexyl)-1,3-oxazinan-2-one (CID 58893242) is 3-(4-methylcyclohexyl)-1,3-oxazinan-2-one.
What is the SMILES notation for 3-(4-methylcyclohexyl)-1,3-oxazinan-2-one?
The canonical SMILES for 3-(4-methylcyclohexyl)-1,3-oxazinan-2-one is CC1CCC(N2CCCOC2=O)CC1.
What is the InChIKey of 3-(4-methylcyclohexyl)-1,3-oxazinan-2-one?
The InChIKey is LPYFNJJNMUOUMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO2/c1-9-3-5-10(6-4-9)12-7-2-8-14-11(12)13/h9-10H,2-8H2,1H3.
What are the key properties of 3-(4-methylcyclohexyl)-1,3-oxazinan-2-one?
3-(4-methylcyclohexyl)-1,3-oxazinan-2-one has a molecular weight of 197.28 g/mol, XLogP of 2.41, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylcyclohexyl)-1,3-oxazinan-2-one is sourced from PubChem (CID 58893242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).