(2S,5S)-5-[[(1R)-cyclohex-2-en-1-yl]methyl]-5-ethyl-2-(2-hydroxyethyl)morpholin-3-one

C15H25NO3 — CID 143558560

IUPAC(2S,5S)-5-[[(1R)-cyclohex-2-en-1-yl]methyl]-5-ethyl-2-(2-hydroxyethyl)morpholin-3-one
SMILESCC[C@]1(C[C@@H]2C=CCCC2)CO[C@@H](CCO)C(=O)N1
InChIInChI=1S/C15H25NO3/c1-2-15(10-12-6-4-3-5-7-12)11-19-13(8-9-17)14(18)16-15/h4,6,12-13,17H,2-3,5,7-11H2,1H3,(H,16,18)/t12-,13+,15+/m1/s1
InChIKeyOFYFKNRAXZOCLB-IPYPFGDCSA-N
MW267.37 g/mol
LogP1.78
Rot. Bonds5

About (2S,5S)-5-[[(1R)-cyclohex-2-en-1-yl]methyl]-5-ethyl-2-(2-hydroxyethyl)morpholin-3-one

(2S,5S)-5-[[(1R)-cyclohex-2-en-1-yl]methyl]-5-ethyl-2-(2-hydroxyethyl)morpholin-3-one (PubChem CID 143558560) has the molecular formula C15H25NO3 and a molecular weight of 267.37 g/mol. Its IUPAC name is (2S,5S)-5-[[(1R)-cyclohex-2-en-1-yl]methyl]-5-ethyl-2-(2-hydroxyethyl)morpholin-3-one.

Molecular Properties

Compound Name(2S,5S)-5-[[(1R)-cyclohex-2-en-1-yl]methyl]-5-ethyl-2-(2-hydroxyethyl)morpholin-3-one
PubChem CID143558560
Molecular FormulaC15H25NO3
Molecular Weight267.37 g/mol
Exact Mass267.18
IUPAC Name(2S,5S)-5-[[(1R)-cyclohex-2-en-1-yl]methyl]-5-ethyl-2-(2-hydroxyethyl)morpholin-3-one
SMILESCC[C@]1(C[C@@H]2C=CCCC2)CO[C@@H](CCO)C(=O)N1
InChIInChI=1S/C15H25NO3/c1-2-15(10-12-6-4-3-5-7-12)11-19-13(8-9-17)14(18)16-15/h4,6,12-13,17H,2-3,5,7-11H2,1H3,(H,16,18)/t12-,13+,15+/m1/s1
InChIKeyOFYFKNRAXZOCLB-IPYPFGDCSA-N
XLogP1.78
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze (2S,5S)-5-[[(1R)-cyclohex-2-en-1-yl]methyl]-5-ethyl-2-(2-hydroxyethyl)morpholin-3-one with MolForge

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Related Compounds

3-[Cyclohex-2-en-1-yl(hydroxy)methyl]-6-(2-hydroxyethyl)-3-methylmorpholine-2,5-dione
CID 70952269
(2S,5S)-5-[[(1R)-cyclohex-2-en-1-yl]methyl]-5-ethyl-2-(2-hydroxyethyl)morpholin-3-one;methanol
CID 143558559
3-(Cyclohex-2-en-1-ylmethyl)-6-(2-hydroxyethyl)-3-methylmorpholine-2,5-dione
CID 143895277
(2S,5R)-5-[(S)-[(1S)-cyclohex-2-en-1-yl]-hydroxymethyl]-5-ethyl-2-(2-hydroxyethyl)morpholin-3-one
CID 145482378

Frequently Asked Questions

What is the IUPAC name of (2S,5S)-5-[[(1R)-cyclohex-2-en-1-yl]methyl]-5-ethyl-2-(2-hydroxyethyl)morpholin-3-one?
The IUPAC name of (2S,5S)-5-[[(1R)-cyclohex-2-en-1-yl]methyl]-5-ethyl-2-(2-hydroxyethyl)morpholin-3-one (CID 143558560) is (2S,5S)-5-[[(1R)-cyclohex-2-en-1-yl]methyl]-5-ethyl-2-(2-hydroxyethyl)morpholin-3-one.
What is the SMILES notation for (2S,5S)-5-[[(1R)-cyclohex-2-en-1-yl]methyl]-5-ethyl-2-(2-hydroxyethyl)morpholin-3-one?
The canonical SMILES for (2S,5S)-5-[[(1R)-cyclohex-2-en-1-yl]methyl]-5-ethyl-2-(2-hydroxyethyl)morpholin-3-one is CC[C@]1(C[C@@H]2C=CCCC2)CO[C@@H](CCO)C(=O)N1.
What is the InChIKey of (2S,5S)-5-[[(1R)-cyclohex-2-en-1-yl]methyl]-5-ethyl-2-(2-hydroxyethyl)morpholin-3-one?
The InChIKey is OFYFKNRAXZOCLB-IPYPFGDCSA-N. The full InChI is InChI=1S/C15H25NO3/c1-2-15(10-12-6-4-3-5-7-12)11-19-13(8-9-17)14(18)16-15/h4,6,12-13,17H,2-3,5,7-11H2,1H3,(H,16,18)/t12-,13+,15+/m1/s1.
What are the key properties of (2S,5S)-5-[[(1R)-cyclohex-2-en-1-yl]methyl]-5-ethyl-2-(2-hydroxyethyl)morpholin-3-one?
(2S,5S)-5-[[(1R)-cyclohex-2-en-1-yl]methyl]-5-ethyl-2-(2-hydroxyethyl)morpholin-3-one has a molecular weight of 267.37 g/mol, XLogP of 1.78, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,5S)-5-[[(1R)-cyclohex-2-en-1-yl]methyl]-5-ethyl-2-(2-hydroxyethyl)morpholin-3-one is sourced from PubChem (CID 143558560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).