methyl 2-[(2S)-4-[(1R)-cyclohex-2-en-1-yl]morpholin-2-yl]acetate

C13H21NO3 — CID 96999145

IUPACmethyl 2-[(2S)-4-[(1R)-cyclohex-2-en-1-yl]morpholin-2-yl]acetate
SMILESCOC(=O)C[C@H]1CN([C@H]2C=CCCC2)CCO1
InChIInChI=1S/C13H21NO3/c1-16-13(15)9-12-10-14(7-8-17-12)11-5-3-2-4-6-11/h3,5,11-12H,2,4,6-10H2,1H3/t11-,12-/m0/s1
InChIKeyWOKDJWIFJQSRFL-RYUDHWBXSA-N
MW239.31 g/mol
LogP1.36
Rot. Bonds3

About methyl 2-[(2S)-4-[(1R)-cyclohex-2-en-1-yl]morpholin-2-yl]acetate

methyl 2-[(2S)-4-[(1R)-cyclohex-2-en-1-yl]morpholin-2-yl]acetate (PubChem CID 96999145) has the molecular formula C13H21NO3 and a molecular weight of 239.31 g/mol. Its IUPAC name is methyl 2-[(2S)-4-[(1R)-cyclohex-2-en-1-yl]morpholin-2-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[(2S)-4-[(1R)-cyclohex-2-en-1-yl]morpholin-2-yl]acetate
PubChem CID96999145
Molecular FormulaC13H21NO3
Molecular Weight239.31 g/mol
Exact Mass239.15
IUPAC Namemethyl 2-[(2S)-4-[(1R)-cyclohex-2-en-1-yl]morpholin-2-yl]acetate
SMILESCOC(=O)C[C@H]1CN([C@H]2C=CCCC2)CCO1
InChIInChI=1S/C13H21NO3/c1-16-13(15)9-12-10-14(7-8-17-12)11-5-3-2-4-6-11/h3,5,11-12H,2,4,6-10H2,1H3/t11-,12-/m0/s1
InChIKeyWOKDJWIFJQSRFL-RYUDHWBXSA-N
XLogP1.36
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 ≤ 51.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[(2S)-4-[(1R)-cyclohex-2-en-1-yl]morpholin-2-yl]acetate?
The IUPAC name of methyl 2-[(2S)-4-[(1R)-cyclohex-2-en-1-yl]morpholin-2-yl]acetate (CID 96999145) is methyl 2-[(2S)-4-[(1R)-cyclohex-2-en-1-yl]morpholin-2-yl]acetate.
What is the SMILES notation for methyl 2-[(2S)-4-[(1R)-cyclohex-2-en-1-yl]morpholin-2-yl]acetate?
The canonical SMILES for methyl 2-[(2S)-4-[(1R)-cyclohex-2-en-1-yl]morpholin-2-yl]acetate is COC(=O)C[C@H]1CN([C@H]2C=CCCC2)CCO1.
What is the InChIKey of methyl 2-[(2S)-4-[(1R)-cyclohex-2-en-1-yl]morpholin-2-yl]acetate?
The InChIKey is WOKDJWIFJQSRFL-RYUDHWBXSA-N. The full InChI is InChI=1S/C13H21NO3/c1-16-13(15)9-12-10-14(7-8-17-12)11-5-3-2-4-6-11/h3,5,11-12H,2,4,6-10H2,1H3/t11-,12-/m0/s1.
What are the key properties of methyl 2-[(2S)-4-[(1R)-cyclohex-2-en-1-yl]morpholin-2-yl]acetate?
methyl 2-[(2S)-4-[(1R)-cyclohex-2-en-1-yl]morpholin-2-yl]acetate has a molecular weight of 239.31 g/mol, XLogP of 1.36, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(2S)-4-[(1R)-cyclohex-2-en-1-yl]morpholin-2-yl]acetate is sourced from PubChem (CID 96999145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).