1-(4-methylcyclohexyl)-2-morpholin-3-ylethanone

C13H23NO2 — CID 116595823

IUPAC1-(4-methylcyclohexyl)-2-morpholin-3-ylethanone
SMILESCC1CCC(C(=O)CC2COCCN2)CC1
InChIInChI=1S/C13H23NO2/c1-10-2-4-11(5-3-10)13(15)8-12-9-16-7-6-14-12/h10-12,14H,2-9H2,1H3
InChIKeyIYVIYWFOVLRPEC-UHFFFAOYSA-N
MW225.33 g/mol
LogP1.76
Rot. Bonds3

About 1-(4-methylcyclohexyl)-2-morpholin-3-ylethanone

1-(4-methylcyclohexyl)-2-morpholin-3-ylethanone (PubChem CID 116595823) has the molecular formula C13H23NO2 and a molecular weight of 225.33 g/mol. Its IUPAC name is 1-(4-methylcyclohexyl)-2-morpholin-3-ylethanone.

Molecular Properties

Compound Name1-(4-methylcyclohexyl)-2-morpholin-3-ylethanone
PubChem CID116595823
Molecular FormulaC13H23NO2
Molecular Weight225.33 g/mol
Exact Mass225.17
IUPAC Name1-(4-methylcyclohexyl)-2-morpholin-3-ylethanone
SMILESCC1CCC(C(=O)CC2COCCN2)CC1
InChIInChI=1S/C13H23NO2/c1-10-2-4-11(5-3-10)13(15)8-12-9-16-7-6-14-12/h10-12,14H,2-9H2,1H3
InChIKeyIYVIYWFOVLRPEC-UHFFFAOYSA-N
XLogP1.76
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.33
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1,1-dioxo-1,4-thiazinan-3-yl)-1-(4-methylcyclohexyl)ethanone
CID 116595583
2-[(3S)-morpholin-3-yl]acetamide
CID 96824646
2-morpholin-3-ylacetic acid;hydrochloride
CID 13099576
3-methyl-1-morpholin-3-ylbut-3-en-2-one
CID 116595710
1-[(3R)-3-methylmorpholin-4-yl]-2-morpholin-3-ylethanone
CID 106774293
N-(2-cyclopentyl-2-methylpropyl)-2-morpholin-3-ylacetamide
CID 115178172
3-(2,3-dimethylhex-2-enyl)morpholine
CID 107889216
2-morpholin-3-yl-N-octylacetamide
CID 113337235
1-morpholin-3-ylpropan-1-one
CID 54487560
N-(2-methylprop-2-enyl)-2-morpholin-3-ylacetamide
CID 114617037
1-(3-hydroxyazetidin-1-yl)-2-morpholin-3-ylethanone
CID 107217537
N-[[1-(dimethylamino)cyclobutyl]methyl]-2-morpholin-3-ylacetamide
CID 105417370

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylcyclohexyl)-2-morpholin-3-ylethanone?
The IUPAC name of 1-(4-methylcyclohexyl)-2-morpholin-3-ylethanone (CID 116595823) is 1-(4-methylcyclohexyl)-2-morpholin-3-ylethanone.
What is the SMILES notation for 1-(4-methylcyclohexyl)-2-morpholin-3-ylethanone?
The canonical SMILES for 1-(4-methylcyclohexyl)-2-morpholin-3-ylethanone is CC1CCC(C(=O)CC2COCCN2)CC1.
What is the InChIKey of 1-(4-methylcyclohexyl)-2-morpholin-3-ylethanone?
The InChIKey is IYVIYWFOVLRPEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO2/c1-10-2-4-11(5-3-10)13(15)8-12-9-16-7-6-14-12/h10-12,14H,2-9H2,1H3.
What are the key properties of 1-(4-methylcyclohexyl)-2-morpholin-3-ylethanone?
1-(4-methylcyclohexyl)-2-morpholin-3-ylethanone has a molecular weight of 225.33 g/mol, XLogP of 1.76, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylcyclohexyl)-2-morpholin-3-ylethanone is sourced from PubChem (CID 116595823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).