(6-morpholin-4-ylcyclohexen-1-yl) acetate

C12H19NO3 — CID 121008291

IUPAC(6-morpholin-4-ylcyclohexen-1-yl) acetate
SMILESCC(=O)OC1=CCCCC1N1CCOCC1
InChIInChI=1S/C12H19NO3/c1-10(14)16-12-5-3-2-4-11(12)13-6-8-15-9-7-13/h5,11H,2-4,6-9H2,1H3
InChIKeyZNERINUCSYNDIX-UHFFFAOYSA-N
MW225.29 g/mol
LogP1.32
Rot. Bonds2

About (6-morpholin-4-ylcyclohexen-1-yl) acetate

(6-morpholin-4-ylcyclohexen-1-yl) acetate (PubChem CID 121008291) has the molecular formula C12H19NO3 and a molecular weight of 225.29 g/mol. Its IUPAC name is (6-morpholin-4-ylcyclohexen-1-yl) acetate.

Molecular Properties

Compound Name(6-morpholin-4-ylcyclohexen-1-yl) acetate
PubChem CID121008291
Molecular FormulaC12H19NO3
Molecular Weight225.29 g/mol
Exact Mass225.14
IUPAC Name(6-morpholin-4-ylcyclohexen-1-yl) acetate
SMILESCC(=O)OC1=CCCCC1N1CCOCC1
InChIInChI=1S/C12H19NO3/c1-10(14)16-12-5-3-2-4-11(12)13-6-8-15-9-7-13/h5,11H,2-4,6-9H2,1H3
InChIKeyZNERINUCSYNDIX-UHFFFAOYSA-N
XLogP1.32
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 51.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Acetic acid, 9-methyl-9-aza-bicyclo[3.3.1]non-6-en-2-yl ester
CID 564938
[1-[Cyclohexa-1,3-dien-1-yl(1,4-dioxin-2-yl)methyl]piperidin-3-yl] acetate
CID 174711850
[2-(Diethylamino)cyclohex-3-en-1-yl] acetate
CID 10560450
[(1R,2R)-2-(diethylamino)cyclohex-3-en-1-yl] acetate
CID 12732254
methyl 2-[(E)-2-acetyloxyhex-1-enyl]piperidine-1-carboxylate
CID 46849345
Methyl 2-[cyclohex-2-en-1-yl(oxan-4-yl)amino]acetate
CID 71925899
methyl 2-[[(1R)-cyclohex-2-en-1-yl]-(oxan-4-yl)amino]acetate
CID 97062588
methyl 2-[[(1S)-cyclohex-2-en-1-yl]-(oxan-4-yl)amino]acetate
CID 97062589
[(3R)-1-[(1R)-cyclohex-2-en-1-yl]piperidin-3-yl] acetate
CID 101958857
[(3R)-1-[(1S)-cyclohex-2-en-1-yl]piperidin-3-yl] acetate
CID 101958858
Ethyl 1-cyclohex-2-en-1-ylpiperidine-2-carboxylate
CID 115618801
(2-Morpholin-4-ylcyclohexen-1-yl) acetate
CID 121009951

Frequently Asked Questions

What is the IUPAC name of (6-morpholin-4-ylcyclohexen-1-yl) acetate?
The IUPAC name of (6-morpholin-4-ylcyclohexen-1-yl) acetate (CID 121008291) is (6-morpholin-4-ylcyclohexen-1-yl) acetate.
What is the SMILES notation for (6-morpholin-4-ylcyclohexen-1-yl) acetate?
The canonical SMILES for (6-morpholin-4-ylcyclohexen-1-yl) acetate is CC(=O)OC1=CCCCC1N1CCOCC1.
What is the InChIKey of (6-morpholin-4-ylcyclohexen-1-yl) acetate?
The InChIKey is ZNERINUCSYNDIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO3/c1-10(14)16-12-5-3-2-4-11(12)13-6-8-15-9-7-13/h5,11H,2-4,6-9H2,1H3.
What are the key properties of (6-morpholin-4-ylcyclohexen-1-yl) acetate?
(6-morpholin-4-ylcyclohexen-1-yl) acetate has a molecular weight of 225.29 g/mol, XLogP of 1.32, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6-morpholin-4-ylcyclohexen-1-yl) acetate is sourced from PubChem (CID 121008291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).