4-methyl-2-(4-oxocyclohexylidene)morpholin-3-one

C11H15NO3 — CID 156853842

IUPAC4-methyl-2-(4-oxocyclohexylidene)morpholin-3-one
SMILESCN1CCOC(=C2CCC(=O)CC2)C1=O
InChIInChI=1S/C11H15NO3/c1-12-6-7-15-10(11(12)14)8-2-4-9(13)5-3-8/h2-7H2,1H3
InChIKeySIWSFUSXYNVTMK-UHFFFAOYSA-N
MW209.24 g/mol
LogP0.87
Rot. Bonds

About 4-methyl-2-(4-oxocyclohexylidene)morpholin-3-one

4-methyl-2-(4-oxocyclohexylidene)morpholin-3-one (PubChem CID 156853842) has the molecular formula C11H15NO3 and a molecular weight of 209.24 g/mol. Its IUPAC name is 4-methyl-2-(4-oxocyclohexylidene)morpholin-3-one.

Molecular Properties

Compound Name4-methyl-2-(4-oxocyclohexylidene)morpholin-3-one
PubChem CID156853842
Molecular FormulaC11H15NO3
Molecular Weight209.24 g/mol
Exact Mass209.11
IUPAC Name4-methyl-2-(4-oxocyclohexylidene)morpholin-3-one
SMILESCN1CCOC(=C2CCC(=O)CC2)C1=O
InChIInChI=1S/C11H15NO3/c1-12-6-7-15-10(11(12)14)8-2-4-9(13)5-3-8/h2-7H2,1H3
InChIKeySIWSFUSXYNVTMK-UHFFFAOYSA-N
XLogP0.87
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.24
LogP ≤ 50.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-(4-oxocyclohexylidene)morpholin-3-one?
The IUPAC name of 4-methyl-2-(4-oxocyclohexylidene)morpholin-3-one (CID 156853842) is 4-methyl-2-(4-oxocyclohexylidene)morpholin-3-one.
What is the SMILES notation for 4-methyl-2-(4-oxocyclohexylidene)morpholin-3-one?
The canonical SMILES for 4-methyl-2-(4-oxocyclohexylidene)morpholin-3-one is CN1CCOC(=C2CCC(=O)CC2)C1=O.
What is the InChIKey of 4-methyl-2-(4-oxocyclohexylidene)morpholin-3-one?
The InChIKey is SIWSFUSXYNVTMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO3/c1-12-6-7-15-10(11(12)14)8-2-4-9(13)5-3-8/h2-7H2,1H3.
What are the key properties of 4-methyl-2-(4-oxocyclohexylidene)morpholin-3-one?
4-methyl-2-(4-oxocyclohexylidene)morpholin-3-one has a molecular weight of 209.24 g/mol, XLogP of 0.87, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-(4-oxocyclohexylidene)morpholin-3-one is sourced from PubChem (CID 156853842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).