ethyl 4-morpholin-4-ylcyclohex-3-ene-1-carboxylate

C13H21NO3 — CID 118578818

IUPACethyl 4-morpholin-4-ylcyclohex-3-ene-1-carboxylate
SMILESCCOC(=O)C1CC=C(N2CCOCC2)CC1
InChIInChI=1S/C13H21NO3/c1-2-17-13(15)11-3-5-12(6-4-11)14-7-9-16-10-8-14/h5,11H,2-4,6-10H2,1H3
InChIKeyIRSLXFUXOOSTAG-UHFFFAOYSA-N
MW239.31 g/mol
LogP1.57
Rot. Bonds3

About ethyl 4-morpholin-4-ylcyclohex-3-ene-1-carboxylate

ethyl 4-morpholin-4-ylcyclohex-3-ene-1-carboxylate (PubChem CID 118578818) has the molecular formula C13H21NO3 and a molecular weight of 239.31 g/mol. Its IUPAC name is ethyl 4-morpholin-4-ylcyclohex-3-ene-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-morpholin-4-ylcyclohex-3-ene-1-carboxylate
PubChem CID118578818
Molecular FormulaC13H21NO3
Molecular Weight239.31 g/mol
Exact Mass239.15
IUPAC Nameethyl 4-morpholin-4-ylcyclohex-3-ene-1-carboxylate
SMILESCCOC(=O)C1CC=C(N2CCOCC2)CC1
InChIInChI=1S/C13H21NO3/c1-2-17-13(15)11-3-5-12(6-4-11)14-7-9-16-10-8-14/h5,11H,2-4,6-10H2,1H3
InChIKeyIRSLXFUXOOSTAG-UHFFFAOYSA-N
XLogP1.57
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.31
LogP ≤ 51.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 85873154
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Frequently Asked Questions

What is the IUPAC name of ethyl 4-morpholin-4-ylcyclohex-3-ene-1-carboxylate?
The IUPAC name of ethyl 4-morpholin-4-ylcyclohex-3-ene-1-carboxylate (CID 118578818) is ethyl 4-morpholin-4-ylcyclohex-3-ene-1-carboxylate.
What is the SMILES notation for ethyl 4-morpholin-4-ylcyclohex-3-ene-1-carboxylate?
The canonical SMILES for ethyl 4-morpholin-4-ylcyclohex-3-ene-1-carboxylate is CCOC(=O)C1CC=C(N2CCOCC2)CC1.
What is the InChIKey of ethyl 4-morpholin-4-ylcyclohex-3-ene-1-carboxylate?
The InChIKey is IRSLXFUXOOSTAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO3/c1-2-17-13(15)11-3-5-12(6-4-11)14-7-9-16-10-8-14/h5,11H,2-4,6-10H2,1H3.
What are the key properties of ethyl 4-morpholin-4-ylcyclohex-3-ene-1-carboxylate?
ethyl 4-morpholin-4-ylcyclohex-3-ene-1-carboxylate has a molecular weight of 239.31 g/mol, XLogP of 1.57, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-morpholin-4-ylcyclohex-3-ene-1-carboxylate is sourced from PubChem (CID 118578818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).