(2-morpholin-4-ylcyclohex-2-en-1-yl) acetate

C12H19NO3 — CID 10799215

IUPAC(2-morpholin-4-ylcyclohex-2-en-1-yl) acetate
SMILESCC(=O)OC1CCCC=C1N1CCOCC1
InChIInChI=1S/C12H19NO3/c1-10(14)16-12-5-3-2-4-11(12)13-6-8-15-9-7-13/h4,12H,2-3,5-9H2,1H3
InChIKeyZDYXIQDTCSWHDO-UHFFFAOYSA-N
MW225.29 g/mol
LogP1.32
Rot. Bonds2

About (2-morpholin-4-ylcyclohex-2-en-1-yl) acetate

(2-morpholin-4-ylcyclohex-2-en-1-yl) acetate (PubChem CID 10799215) has the molecular formula C12H19NO3 and a molecular weight of 225.29 g/mol. Its IUPAC name is (2-morpholin-4-ylcyclohex-2-en-1-yl) acetate.

Molecular Properties

Compound Name(2-morpholin-4-ylcyclohex-2-en-1-yl) acetate
PubChem CID10799215
Molecular FormulaC12H19NO3
Molecular Weight225.29 g/mol
Exact Mass225.14
IUPAC Name(2-morpholin-4-ylcyclohex-2-en-1-yl) acetate
SMILESCC(=O)OC1CCCC=C1N1CCOCC1
InChIInChI=1S/C12H19NO3/c1-10(14)16-12-5-3-2-4-11(12)13-6-8-15-9-7-13/h4,12H,2-3,5-9H2,1H3
InChIKeyZDYXIQDTCSWHDO-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

Analyze (2-morpholin-4-ylcyclohex-2-en-1-yl) acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Acetic acid, 4-morpholin-4-yl-cyclohex-3-enyl ester
CID 540005
[(2E)-2-ethylidene-1-piperidin-1-ylpiperidin-3-yl] acetate
CID 141760453
4-(6-Ethoxycyclohexen-1-yl)morpholine
CID 10536474
4-(6-Methoxycyclohexen-1-yl)morpholine
CID 12621674
2-butyl-4-morpholin-4-yl-2H-furan-5-one
CID 121008918
1-methyl-4,6,7,8-tetrahydro-1H-pyrido[2,1-c][1,4]oxazin-3-one
CID 129916183
4-(6-Methoxy-4-methylcyclohexen-1-yl)morpholine
CID 143520753

Frequently Asked Questions

What is the IUPAC name of (2-morpholin-4-ylcyclohex-2-en-1-yl) acetate?
The IUPAC name of (2-morpholin-4-ylcyclohex-2-en-1-yl) acetate (CID 10799215) is (2-morpholin-4-ylcyclohex-2-en-1-yl) acetate.
What is the SMILES notation for (2-morpholin-4-ylcyclohex-2-en-1-yl) acetate?
The canonical SMILES for (2-morpholin-4-ylcyclohex-2-en-1-yl) acetate is CC(=O)OC1CCCC=C1N1CCOCC1.
What is the InChIKey of (2-morpholin-4-ylcyclohex-2-en-1-yl) acetate?
The InChIKey is ZDYXIQDTCSWHDO-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/h4,12H,2-3,5-9H2,1H3.
What are the key properties of (2-morpholin-4-ylcyclohex-2-en-1-yl) acetate?
(2-morpholin-4-ylcyclohex-2-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 (2-morpholin-4-ylcyclohex-2-en-1-yl) acetate is sourced from PubChem (CID 10799215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).