2-acetyl-5,5-dimethyl-3-morpholin-4-ylcyclohex-2-en-1-one

C14H21NO3 — CID 5345874

IUPAC2-acetyl-5,5-dimethyl-3-morpholin-4-ylcyclohex-2-en-1-one
SMILESCC(=O)C1=C(N2CCOCC2)CC(C)(C)CC1=O
InChIInChI=1S/C14H21NO3/c1-10(16)13-11(15-4-6-18-7-5-15)8-14(2,3)9-12(13)17/h4-9H2,1-3H3
InChIKeyRMTKSYPLZSAMGB-UHFFFAOYSA-N
MW251.33 g/mol
LogP1.55
Rot. Bonds2

About 2-acetyl-5,5-dimethyl-3-morpholin-4-ylcyclohex-2-en-1-one

2-acetyl-5,5-dimethyl-3-morpholin-4-ylcyclohex-2-en-1-one (PubChem CID 5345874) has the molecular formula C14H21NO3 and a molecular weight of 251.33 g/mol. Its IUPAC name is 2-acetyl-5,5-dimethyl-3-morpholin-4-ylcyclohex-2-en-1-one.

Molecular Properties

Compound Name2-acetyl-5,5-dimethyl-3-morpholin-4-ylcyclohex-2-en-1-one
PubChem CID5345874
Molecular FormulaC14H21NO3
Molecular Weight251.33 g/mol
Exact Mass251.15
IUPAC Name2-acetyl-5,5-dimethyl-3-morpholin-4-ylcyclohex-2-en-1-one
SMILESCC(=O)C1=C(N2CCOCC2)CC(C)(C)CC1=O
InChIInChI=1S/C14H21NO3/c1-10(16)13-11(15-4-6-18-7-5-15)8-14(2,3)9-12(13)17/h4-9H2,1-3H3
InChIKeyRMTKSYPLZSAMGB-UHFFFAOYSA-N
XLogP1.55
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 51.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_4', 'substructure': 'N/A'}

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Related Compounds

5,5-Dimethyl-3-morpholino-2-cyclohexen-1-one
CID 725658
5,5-Dimethyl-3-piperidino-2-trifluoroacetylcyclo-hex-2-en-1-one
CID 129756111
Cambridge id 5219958
CID 788272
Cambridge id 5968528
CID 877653
3,5,5-Trimethyl-2-(morpholin-4-yl)cyclohex-2-en-1-one
CID 12388961
2-acetyl-1-(N-morpholinyl)cyclohexene
CID 12366496
2-Cyclohexen-1-one, 3-(2,6-dimethyl-4-morpholinyl)-5,5-dimethyl-
CID 4686337
3,5,5-Trimethyl-2-(2-morpholin-4-ylethyl)cyclohex-2-en-1-one
CID 12543840
3,5,5-Trimethyl-2-(1-morpholin-4-ylethyl)cyclohex-2-en-1-one
CID 21679952
2-Butanoyl-3-morpholin-4-yl-5-propylcyclopent-2-en-1-one
CID 24976737
4,4-Dimethyl-6-methylidene-3-morpholin-4-ylcyclohex-2-en-1-one
CID 57099079
4,4-Dimethyl-3-morpholin-4-ylcyclohex-2-en-1-one
CID 57223661

Frequently Asked Questions

What is the IUPAC name of 2-acetyl-5,5-dimethyl-3-morpholin-4-ylcyclohex-2-en-1-one?
The IUPAC name of 2-acetyl-5,5-dimethyl-3-morpholin-4-ylcyclohex-2-en-1-one (CID 5345874) is 2-acetyl-5,5-dimethyl-3-morpholin-4-ylcyclohex-2-en-1-one.
What is the SMILES notation for 2-acetyl-5,5-dimethyl-3-morpholin-4-ylcyclohex-2-en-1-one?
The canonical SMILES for 2-acetyl-5,5-dimethyl-3-morpholin-4-ylcyclohex-2-en-1-one is CC(=O)C1=C(N2CCOCC2)CC(C)(C)CC1=O.
What is the InChIKey of 2-acetyl-5,5-dimethyl-3-morpholin-4-ylcyclohex-2-en-1-one?
The InChIKey is RMTKSYPLZSAMGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO3/c1-10(16)13-11(15-4-6-18-7-5-15)8-14(2,3)9-12(13)17/h4-9H2,1-3H3.
What are the key properties of 2-acetyl-5,5-dimethyl-3-morpholin-4-ylcyclohex-2-en-1-one?
2-acetyl-5,5-dimethyl-3-morpholin-4-ylcyclohex-2-en-1-one has a molecular weight of 251.33 g/mol, XLogP of 1.55, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetyl-5,5-dimethyl-3-morpholin-4-ylcyclohex-2-en-1-one is sourced from PubChem (CID 5345874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).