5,5-dimethyl-3-(morpholin-4-ylamino)cyclohex-2-en-1-one

C12H20N2O2 — CID 768135

IUPAC5,5-dimethyl-3-(morpholin-4-ylamino)cyclohex-2-en-1-one
SMILESCC1(C)CC(=O)C=C(NN2CCOCC2)C1
InChIInChI=1S/C12H20N2O2/c1-12(2)8-10(7-11(15)9-12)13-14-3-5-16-6-4-14/h7,13H,3-6,8-9H2,1-2H3
InChIKeySNWJYQQTYWPAGK-UHFFFAOYSA-N
MW224.30 g/mol
LogP1.10
Rot. Bonds2

About 5,5-dimethyl-3-(morpholin-4-ylamino)cyclohex-2-en-1-one

5,5-dimethyl-3-(morpholin-4-ylamino)cyclohex-2-en-1-one (PubChem CID 768135) has the molecular formula C12H20N2O2 and a molecular weight of 224.30 g/mol. Its IUPAC name is 5,5-dimethyl-3-(morpholin-4-ylamino)cyclohex-2-en-1-one.

Molecular Properties

Compound Name5,5-dimethyl-3-(morpholin-4-ylamino)cyclohex-2-en-1-one
PubChem CID768135
Molecular FormulaC12H20N2O2
Molecular Weight224.30 g/mol
Exact Mass224.15
IUPAC Name5,5-dimethyl-3-(morpholin-4-ylamino)cyclohex-2-en-1-one
SMILESCC1(C)CC(=O)C=C(NN2CCOCC2)C1
InChIInChI=1S/C12H20N2O2/c1-12(2)8-10(7-11(15)9-12)13-14-3-5-16-6-4-14/h7,13H,3-6,8-9H2,1-2H3
InChIKeySNWJYQQTYWPAGK-UHFFFAOYSA-N
XLogP1.10
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5,5-Dimethyl-3-morpholino-2-cyclohexen-1-one
CID 725658
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
2-Cyclohexenone, 5,5-dimethyl-3-(4-methylpiperazin-1-yl)amino-
CID 567257
2-Cyclohexen-1-one, 3-(2,6-dimethyl-4-morpholinyl)-5,5-dimethyl-
CID 4686337
5,5-Dimethyl-3-[(piperidin-1-yl)amino]cyclohex-2-en-1-one
CID 13946507
3-(2,3-Dihydro-1,4-oxazin-4-ylamino)-5,5-dimethylcyclohex-2-en-1-one
CID 68225825
3-(Morpholin-4-ylamino)cyclohex-2-en-1-one
CID 139624252
3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-5,5-dimethylcyclohex-2-en-1-one
CID 2322569
3-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-5,5-dimethylcyclohex-2-en-1-one
CID 2322570
3-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-5,5-dimethylcyclohex-2-en-1-one
CID 2322571
5,5-Dimethyl-3-(morpholin-4-ylamino)cyclohex-3-en-1-one
CID 4741836

Frequently Asked Questions

What is the IUPAC name of 5,5-dimethyl-3-(morpholin-4-ylamino)cyclohex-2-en-1-one?
The IUPAC name of 5,5-dimethyl-3-(morpholin-4-ylamino)cyclohex-2-en-1-one (CID 768135) is 5,5-dimethyl-3-(morpholin-4-ylamino)cyclohex-2-en-1-one.
What is the SMILES notation for 5,5-dimethyl-3-(morpholin-4-ylamino)cyclohex-2-en-1-one?
The canonical SMILES for 5,5-dimethyl-3-(morpholin-4-ylamino)cyclohex-2-en-1-one is CC1(C)CC(=O)C=C(NN2CCOCC2)C1.
What is the InChIKey of 5,5-dimethyl-3-(morpholin-4-ylamino)cyclohex-2-en-1-one?
The InChIKey is SNWJYQQTYWPAGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2/c1-12(2)8-10(7-11(15)9-12)13-14-3-5-16-6-4-14/h7,13H,3-6,8-9H2,1-2H3.
What are the key properties of 5,5-dimethyl-3-(morpholin-4-ylamino)cyclohex-2-en-1-one?
5,5-dimethyl-3-(morpholin-4-ylamino)cyclohex-2-en-1-one has a molecular weight of 224.30 g/mol, XLogP of 1.10, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dimethyl-3-(morpholin-4-ylamino)cyclohex-2-en-1-one is sourced from PubChem (CID 768135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).