(4-morpholin-4-ylcyclohex-3-en-1-yl) acetate

C12H19NO3 — CID 540005

IUPAC(4-morpholin-4-ylcyclohex-3-en-1-yl) acetate
SMILESCC(=O)OC1CC=C(N2CCOCC2)CC1
InChIInChI=1S/C12H19NO3/c1-10(14)16-12-4-2-11(3-5-12)13-6-8-15-9-7-13/h2,12H,3-9H2,1H3
InChIKeyIOJWFAJQUHDASQ-UHFFFAOYSA-N
MW225.29 g/mol
LogP1.32
Rot. Bonds2

About (4-morpholin-4-ylcyclohex-3-en-1-yl) acetate

(4-morpholin-4-ylcyclohex-3-en-1-yl) acetate (PubChem CID 540005) has the molecular formula C12H19NO3 and a molecular weight of 225.29 g/mol. Its IUPAC name is (4-morpholin-4-ylcyclohex-3-en-1-yl) acetate.

Molecular Properties

Compound Name(4-morpholin-4-ylcyclohex-3-en-1-yl) acetate
PubChem CID540005
Molecular FormulaC12H19NO3
Molecular Weight225.29 g/mol
Exact Mass225.14
IUPAC Name(4-morpholin-4-ylcyclohex-3-en-1-yl) acetate
SMILESCC(=O)OC1CC=C(N2CCOCC2)CC1
InChIInChI=1S/C12H19NO3/c1-10(14)16-12-4-2-11(3-5-12)13-6-8-15-9-7-13/h2,12H,3-9H2,1H3
InChIKeyIOJWFAJQUHDASQ-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

4-(4-Methoxycyclohexen-1-yl)morpholine
CID 15658164
1-[(4R)-4-propoxycyclohexen-1-yl]piperidin-4-one
CID 68075504
1-[(4R)-4-ethoxycyclohexen-1-yl]piperidin-4-one
CID 68081936
4-(Cyclohexen-1-yl)-2-methylmorpholine
CID 70546443
ethane;1-[(4S)-4-ethoxycyclohexen-1-yl]piperidin-4-one
CID 143542707
4-(4,4-Dimethoxycyclohexen-1-yl)morpholine
CID 144129301
[2-(Diethylamino)cyclohex-3-en-1-yl] acetate
CID 10560450
(2-Morpholin-4-ylcyclohex-2-en-1-yl) acetate
CID 10799215
[(1R,2R)-2-(diethylamino)cyclohex-3-en-1-yl] acetate
CID 12732254
[(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
1-[(4S)-4-ethoxycyclohexen-1-yl]piperidin-4-one
CID 143542708

Frequently Asked Questions

What is the IUPAC name of (4-morpholin-4-ylcyclohex-3-en-1-yl) acetate?
The IUPAC name of (4-morpholin-4-ylcyclohex-3-en-1-yl) acetate (CID 540005) is (4-morpholin-4-ylcyclohex-3-en-1-yl) acetate.
What is the SMILES notation for (4-morpholin-4-ylcyclohex-3-en-1-yl) acetate?
The canonical SMILES for (4-morpholin-4-ylcyclohex-3-en-1-yl) acetate is CC(=O)OC1CC=C(N2CCOCC2)CC1.
What is the InChIKey of (4-morpholin-4-ylcyclohex-3-en-1-yl) acetate?
The InChIKey is IOJWFAJQUHDASQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO3/c1-10(14)16-12-4-2-11(3-5-12)13-6-8-15-9-7-13/h2,12H,3-9H2,1H3.
What are the key properties of (4-morpholin-4-ylcyclohex-3-en-1-yl) acetate?
(4-morpholin-4-ylcyclohex-3-en-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 (4-morpholin-4-ylcyclohex-3-en-1-yl) acetate is sourced from PubChem (CID 540005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).