3-methyl-2-(2-morpholin-4-ylethyl)cyclohex-2-en-1-one

C13H21NO2 — CID 5324060

IUPAC3-methyl-2-(2-morpholin-4-ylethyl)cyclohex-2-en-1-one
SMILESCC1=C(CCN2CCOCC2)C(=O)CCC1
InChIInChI=1S/C13H21NO2/c1-11-3-2-4-13(15)12(11)5-6-14-7-9-16-10-8-14/h2-10H2,1H3
InChIKeyXSVPZKWVCIVRHQ-UHFFFAOYSA-N
MW223.32 g/mol
LogP1.78
Rot. Bonds3

About 3-methyl-2-(2-morpholin-4-ylethyl)cyclohex-2-en-1-one

3-methyl-2-(2-morpholin-4-ylethyl)cyclohex-2-en-1-one (PubChem CID 5324060) has the molecular formula C13H21NO2 and a molecular weight of 223.32 g/mol. Its IUPAC name is 3-methyl-2-(2-morpholin-4-ylethyl)cyclohex-2-en-1-one.

Molecular Properties

Compound Name3-methyl-2-(2-morpholin-4-ylethyl)cyclohex-2-en-1-one
PubChem CID5324060
Molecular FormulaC13H21NO2
Molecular Weight223.32 g/mol
Exact Mass223.16
IUPAC Name3-methyl-2-(2-morpholin-4-ylethyl)cyclohex-2-en-1-one
SMILESCC1=C(CCN2CCOCC2)C(=O)CCC1
InChIInChI=1S/C13H21NO2/c1-11-3-2-4-13(15)12(11)5-6-14-7-9-16-10-8-14/h2-10H2,1H3
InChIKeyXSVPZKWVCIVRHQ-UHFFFAOYSA-N
XLogP1.78
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 51.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-acetyl-1-(N-morpholinyl)cyclohexene
CID 12366496
3-Methyl-4-(morpholin-4-ylmethyl)-2,3,4,5,6,7-hexahydroinden-1-one
CID 3021251
3,5,5-Trimethyl-2-(2-morpholin-4-ylethyl)cyclohex-2-en-1-one
CID 12543840
2-(Morpholin-4-ylmethyl)cyclohex-2-en-1-one
CID 12487599
2-(7-Morpholin-4-ylheptyl)cyclopent-2-en-1-one
CID 20389710
2,3,5-Trimethyl-6-(morpholin-4-ylmethyl)cyclohexa-2,5-diene-1,4-dione
CID 20537745
2,3,5-Trimethyl-6-(4-morpholin-4-yl-4-oxobutyl)cyclohexa-2,5-diene-1,4-dione
CID 67159741
2,3-dimethyl-7-(2-morpholin-4-ylethyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulene-1,4-dione
CID 176396618
2,3-dimethyl-7-(morpholin-4-ylmethyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulene-1,4-dione
CID 176396697
3-Morpholin-4-yl-2-pentylcyclopent-2-en-1-one
CID 7098886
2-Methyl-3-morpholin-4-ylcyclohex-2-en-1-one
CID 11127165
1-(2-Morpholin-4-ylcyclopenten-1-yl)ethanone
CID 13611354

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-(2-morpholin-4-ylethyl)cyclohex-2-en-1-one?
The IUPAC name of 3-methyl-2-(2-morpholin-4-ylethyl)cyclohex-2-en-1-one (CID 5324060) is 3-methyl-2-(2-morpholin-4-ylethyl)cyclohex-2-en-1-one.
What is the SMILES notation for 3-methyl-2-(2-morpholin-4-ylethyl)cyclohex-2-en-1-one?
The canonical SMILES for 3-methyl-2-(2-morpholin-4-ylethyl)cyclohex-2-en-1-one is CC1=C(CCN2CCOCC2)C(=O)CCC1.
What is the InChIKey of 3-methyl-2-(2-morpholin-4-ylethyl)cyclohex-2-en-1-one?
The InChIKey is XSVPZKWVCIVRHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO2/c1-11-3-2-4-13(15)12(11)5-6-14-7-9-16-10-8-14/h2-10H2,1H3.
What are the key properties of 3-methyl-2-(2-morpholin-4-ylethyl)cyclohex-2-en-1-one?
3-methyl-2-(2-morpholin-4-ylethyl)cyclohex-2-en-1-one has a molecular weight of 223.32 g/mol, XLogP of 1.78, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-(2-morpholin-4-ylethyl)cyclohex-2-en-1-one is sourced from PubChem (CID 5324060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).