2-(1-methylcyclohexyl)-2H-1,4-oxazine

C11H17NO — CID 91574568

IUPAC2-(1-methylcyclohexyl)-2H-1,4-oxazine
SMILESCC1(C2C=NC=CO2)CCCCC1
InChIInChI=1S/C11H17NO/c1-11(5-3-2-4-6-11)10-9-12-7-8-13-10/h7-10H,2-6H2,1H3
InChIKeyKUTHSJJWIBLZOB-UHFFFAOYSA-N
MW179.26 g/mol
LogP2.90
Rot. Bonds1

About 2-(1-methylcyclohexyl)-2H-1,4-oxazine

2-(1-methylcyclohexyl)-2H-1,4-oxazine (PubChem CID 91574568) has the molecular formula C11H17NO and a molecular weight of 179.26 g/mol. Its IUPAC name is 2-(1-methylcyclohexyl)-2H-1,4-oxazine.

Molecular Properties

Compound Name2-(1-methylcyclohexyl)-2H-1,4-oxazine
PubChem CID91574568
Molecular FormulaC11H17NO
Molecular Weight179.26 g/mol
Exact Mass179.13
IUPAC Name2-(1-methylcyclohexyl)-2H-1,4-oxazine
SMILESCC1(C2C=NC=CO2)CCCCC1
InChIInChI=1S/C11H17NO/c1-11(5-3-2-4-6-11)10-9-12-7-8-13-10/h7-10H,2-6H2,1H3
InChIKeyKUTHSJJWIBLZOB-UHFFFAOYSA-N
XLogP2.90
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.26
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(1-methylcyclohexyl)-2H-1,4-oxazine?
The IUPAC name of 2-(1-methylcyclohexyl)-2H-1,4-oxazine (CID 91574568) is 2-(1-methylcyclohexyl)-2H-1,4-oxazine.
What is the SMILES notation for 2-(1-methylcyclohexyl)-2H-1,4-oxazine?
The canonical SMILES for 2-(1-methylcyclohexyl)-2H-1,4-oxazine is CC1(C2C=NC=CO2)CCCCC1.
What is the InChIKey of 2-(1-methylcyclohexyl)-2H-1,4-oxazine?
The InChIKey is KUTHSJJWIBLZOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO/c1-11(5-3-2-4-6-11)10-9-12-7-8-13-10/h7-10H,2-6H2,1H3.
What are the key properties of 2-(1-methylcyclohexyl)-2H-1,4-oxazine?
2-(1-methylcyclohexyl)-2H-1,4-oxazine has a molecular weight of 179.26 g/mol, XLogP of 2.90, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylcyclohexyl)-2H-1,4-oxazine is sourced from PubChem (CID 91574568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).