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

C12H19NO2 — CID 57223661

IUPAC4,4-dimethyl-3-morpholin-4-ylcyclohex-2-en-1-one
SMILESCC1(C)CCC(=O)C=C1N1CCOCC1
InChIInChI=1S/C12H19NO2/c1-12(2)4-3-10(14)9-11(12)13-5-7-15-8-6-13/h9H,3-8H2,1-2H3
InChIKeyCUIOCKPTNPEUGP-UHFFFAOYSA-N
MW209.29 g/mol
LogP1.59
Rot. Bonds1

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

4,4-dimethyl-3-morpholin-4-ylcyclohex-2-en-1-one (PubChem CID 57223661) has the molecular formula C12H19NO2 and a molecular weight of 209.29 g/mol. Its IUPAC name is 4,4-dimethyl-3-morpholin-4-ylcyclohex-2-en-1-one.

Molecular Properties

Compound Name4,4-dimethyl-3-morpholin-4-ylcyclohex-2-en-1-one
PubChem CID57223661
Molecular FormulaC12H19NO2
Molecular Weight209.29 g/mol
Exact Mass209.14
IUPAC Name4,4-dimethyl-3-morpholin-4-ylcyclohex-2-en-1-one
SMILESCC1(C)CCC(=O)C=C1N1CCOCC1
InChIInChI=1S/C12H19NO2/c1-12(2)4-3-10(14)9-11(12)13-5-7-15-8-6-13/h9H,3-8H2,1-2H3
InChIKeyCUIOCKPTNPEUGP-UHFFFAOYSA-N
XLogP1.59
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 51.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5,5-Dimethyl-3-morpholino-2-cyclohexen-1-one
CID 725658
3-Morpholin-4-ylcyclohex-2-en-1-one
CID 4373344
5,5-Dimethyl-3-(piperidino)cyclohex-2-en-1-one
CID 139441
2-Tert-butyl-5-morpholin-4-ylcyclohexa-2,5-diene-1,4-dione
CID 2315667
3-(2,6-Dimethylmorpholin-4-yl)cyclohex-2-en-1-one
CID 4570259
5,5-Dimethyl-3-{[3-(4-morpholinyl)propyl]amino}-2-cyclohexen-1-one
CID 2837133
5,5-Dimethyl-3-(2-morpholin-4-ylethylamino)cyclohex-2-en-1-one
CID 781026
Cambridge id 5968528
CID 877653
3-[(2-Hydroxyethyl)(methyl)amino]-5,5-dimethyl-2-cyclohexen-1-one
CID 3713725
3,5,5-Trimethyl-2-(morpholin-4-yl)cyclohex-2-en-1-one
CID 12388961
4,4-Dimethyl-6-(morpholin-4-ylmethyl)cyclohex-2-en-1-one
CID 57208953
6,6-Dimethyl-3-piperidin-1-ylcyclohex-2-en-1-one
CID 824750

Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-3-morpholin-4-ylcyclohex-2-en-1-one?
The IUPAC name of 4,4-dimethyl-3-morpholin-4-ylcyclohex-2-en-1-one (CID 57223661) is 4,4-dimethyl-3-morpholin-4-ylcyclohex-2-en-1-one.
What is the SMILES notation for 4,4-dimethyl-3-morpholin-4-ylcyclohex-2-en-1-one?
The canonical SMILES for 4,4-dimethyl-3-morpholin-4-ylcyclohex-2-en-1-one is CC1(C)CCC(=O)C=C1N1CCOCC1.
What is the InChIKey of 4,4-dimethyl-3-morpholin-4-ylcyclohex-2-en-1-one?
The InChIKey is CUIOCKPTNPEUGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO2/c1-12(2)4-3-10(14)9-11(12)13-5-7-15-8-6-13/h9H,3-8H2,1-2H3.
What are the key properties of 4,4-dimethyl-3-morpholin-4-ylcyclohex-2-en-1-one?
4,4-dimethyl-3-morpholin-4-ylcyclohex-2-en-1-one has a molecular weight of 209.29 g/mol, XLogP of 1.59, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-3-morpholin-4-ylcyclohex-2-en-1-one is sourced from PubChem (CID 57223661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).