4-(5-hydroxy-2,2-dimethylcyclohexyl)morpholin-3-one

C12H21NO3 — CID 165497531

IUPAC4-(5-hydroxy-2,2-dimethylcyclohexyl)morpholin-3-one
SMILESCC1(C)CCC(O)CC1N1CCOCC1=O
InChIInChI=1S/C12H21NO3/c1-12(2)4-3-9(14)7-10(12)13-5-6-16-8-11(13)15/h9-10,14H,3-8H2,1-2H3
InChIKeyCBJMSBUYTKXYGU-UHFFFAOYSA-N
MW227.30 g/mol
LogP0.78
Rot. Bonds1

About 4-(5-hydroxy-2,2-dimethylcyclohexyl)morpholin-3-one

4-(5-hydroxy-2,2-dimethylcyclohexyl)morpholin-3-one (PubChem CID 165497531) has the molecular formula C12H21NO3 and a molecular weight of 227.30 g/mol. Its IUPAC name is 4-(5-hydroxy-2,2-dimethylcyclohexyl)morpholin-3-one.

Molecular Properties

Compound Name4-(5-hydroxy-2,2-dimethylcyclohexyl)morpholin-3-one
PubChem CID165497531
Molecular FormulaC12H21NO3
Molecular Weight227.30 g/mol
Exact Mass227.15
IUPAC Name4-(5-hydroxy-2,2-dimethylcyclohexyl)morpholin-3-one
SMILESCC1(C)CCC(O)CC1N1CCOCC1=O
InChIInChI=1S/C12H21NO3/c1-12(2)4-3-9(14)7-10(12)13-5-6-16-8-11(13)15/h9-10,14H,3-8H2,1-2H3
InChIKeyCBJMSBUYTKXYGU-UHFFFAOYSA-N
XLogP0.78
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.30
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(5-hydroxy-2,2-dimethylcyclohexyl)morpholin-3-one?
The IUPAC name of 4-(5-hydroxy-2,2-dimethylcyclohexyl)morpholin-3-one (CID 165497531) is 4-(5-hydroxy-2,2-dimethylcyclohexyl)morpholin-3-one.
What is the SMILES notation for 4-(5-hydroxy-2,2-dimethylcyclohexyl)morpholin-3-one?
The canonical SMILES for 4-(5-hydroxy-2,2-dimethylcyclohexyl)morpholin-3-one is CC1(C)CCC(O)CC1N1CCOCC1=O.
What is the InChIKey of 4-(5-hydroxy-2,2-dimethylcyclohexyl)morpholin-3-one?
The InChIKey is CBJMSBUYTKXYGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO3/c1-12(2)4-3-9(14)7-10(12)13-5-6-16-8-11(13)15/h9-10,14H,3-8H2,1-2H3.
What are the key properties of 4-(5-hydroxy-2,2-dimethylcyclohexyl)morpholin-3-one?
4-(5-hydroxy-2,2-dimethylcyclohexyl)morpholin-3-one has a molecular weight of 227.30 g/mol, XLogP of 0.78, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-hydroxy-2,2-dimethylcyclohexyl)morpholin-3-one is sourced from PubChem (CID 165497531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).