4-(4-methylcyclohexyl)morpholine-2,6-dione

C11H17NO3 — CID 63779037

IUPAC4-(4-methylcyclohexyl)morpholine-2,6-dione
SMILESCC1CCC(N2CC(=O)OC(=O)C2)CC1
InChIInChI=1S/C11H17NO3/c1-8-2-4-9(5-3-8)12-6-10(13)15-11(14)7-12/h8-9H,2-7H2,1H3
InChIKeySCXABOYVZSWFTJ-UHFFFAOYSA-N
MW211.26 g/mol
LogP0.95
Rot. Bonds1

About 4-(4-methylcyclohexyl)morpholine-2,6-dione

4-(4-methylcyclohexyl)morpholine-2,6-dione (PubChem CID 63779037) has the molecular formula C11H17NO3 and a molecular weight of 211.26 g/mol. Its IUPAC name is 4-(4-methylcyclohexyl)morpholine-2,6-dione.

Molecular Properties

Compound Name4-(4-methylcyclohexyl)morpholine-2,6-dione
PubChem CID63779037
Molecular FormulaC11H17NO3
Molecular Weight211.26 g/mol
Exact Mass211.12
IUPAC Name4-(4-methylcyclohexyl)morpholine-2,6-dione
SMILESCC1CCC(N2CC(=O)OC(=O)C2)CC1
InChIInChI=1S/C11H17NO3/c1-8-2-4-9(5-3-8)12-6-10(13)15-11(14)7-12/h8-9H,2-7H2,1H3
InChIKeySCXABOYVZSWFTJ-UHFFFAOYSA-N
XLogP0.95
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 50.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

4-(4-propylcyclohexyl)morpholine-2,6-dione
CID 63789954
4-cyclohexylmorpholine-2,6-dione
CID 63778866
4-[(4-methylcyclohexyl)methyl]morpholine-2,6-dione
CID 63789772
4-methyl-1-(4-methylcyclohexyl)piperazin-2-one
CID 58893252
1-(3-methylcyclopentyl)pyrrolidin-3-one
CID 114546729
4,4-dimethyl-1-(4-methylcyclohexyl)piperidine
CID 20761841
(3S,10R)-5,12-dioxa-1,8-diazatricyclo[8.4.0.03,8]tetradecane-4,6,11,13-tetrone
CID 14726140
2,4,6,8,9,9a-hexahydro-1H-quinolizine-3,7-dione
CID 164802579
4-[(1S,4S)-4-methylcycloheptyl]morpholine
CID 143263488
1-[1-(4-methylcyclohexyl)piperidin-4-yl]ethanone
CID 64750444
4-(4-propylcyclohexyl)piperazine-2,6-dione
CID 55235193
3-[1-(4-methylcyclohexyl)pyrrolidin-3-yl]imidazolidine-2,4-dione
CID 121184029

Frequently Asked Questions

What is the IUPAC name of 4-(4-methylcyclohexyl)morpholine-2,6-dione?
The IUPAC name of 4-(4-methylcyclohexyl)morpholine-2,6-dione (CID 63779037) is 4-(4-methylcyclohexyl)morpholine-2,6-dione.
What is the SMILES notation for 4-(4-methylcyclohexyl)morpholine-2,6-dione?
The canonical SMILES for 4-(4-methylcyclohexyl)morpholine-2,6-dione is CC1CCC(N2CC(=O)OC(=O)C2)CC1.
What is the InChIKey of 4-(4-methylcyclohexyl)morpholine-2,6-dione?
The InChIKey is SCXABOYVZSWFTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO3/c1-8-2-4-9(5-3-8)12-6-10(13)15-11(14)7-12/h8-9H,2-7H2,1H3.
What are the key properties of 4-(4-methylcyclohexyl)morpholine-2,6-dione?
4-(4-methylcyclohexyl)morpholine-2,6-dione has a molecular weight of 211.26 g/mol, XLogP of 0.95, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methylcyclohexyl)morpholine-2,6-dione is sourced from PubChem (CID 63779037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).