methyl 4-[(2E)-cyclooct-2-en-1-yl]morpholine-2-carboxylate

C14H23NO3 — CID 114228063

IUPACmethyl 4-[(2E)-cyclooct-2-en-1-yl]morpholine-2-carboxylate
SMILESCOC(=O)C1CN(C2/C=C\CCCCC2)CCO1
InChIInChI=1S/C14H23NO3/c1-17-14(16)13-11-15(9-10-18-13)12-7-5-3-2-4-6-8-12/h5,7,12-13H,2-4,6,8-11H2,1H3/b7-5-
InChIKeyXQXIJBWKABHLMJ-ALCCZGGFSA-N
MW253.34 g/mol
LogP1.75
Rot. Bonds2

About methyl 4-[(2E)-cyclooct-2-en-1-yl]morpholine-2-carboxylate

methyl 4-[(2E)-cyclooct-2-en-1-yl]morpholine-2-carboxylate (PubChem CID 114228063) has the molecular formula C14H23NO3 and a molecular weight of 253.34 g/mol. Its IUPAC name is methyl 4-[(2E)-cyclooct-2-en-1-yl]morpholine-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-[(2E)-cyclooct-2-en-1-yl]morpholine-2-carboxylate
PubChem CID114228063
Molecular FormulaC14H23NO3
Molecular Weight253.34 g/mol
Exact Mass253.17
IUPAC Namemethyl 4-[(2E)-cyclooct-2-en-1-yl]morpholine-2-carboxylate
SMILESCOC(=O)C1CN(C2/C=C\CCCCC2)CCO1
InChIInChI=1S/C14H23NO3/c1-17-14(16)13-11-15(9-10-18-13)12-7-5-3-2-4-6-8-12/h5,7,12-13H,2-4,6,8-11H2,1H3/b7-5-
InChIKeyXQXIJBWKABHLMJ-ALCCZGGFSA-N
XLogP1.75
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.34
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

methyl 2-[(2R)-4-[(1R)-cyclohex-2-en-1-yl]morpholin-2-yl]acetate
CID 96999144
methyl (3S)-1-cyclohex-2-en-1-ylpiperidine-3-carboxylate
CID 103714081
methyl 4-(piperidine-1-carbonyl)morpholine-2-carboxylate
CID 78927190
methyl 4-(bicyclo[4.1.0]heptane-7-carbonyl)morpholine-2-carboxylate
CID 79209422
2-[[(2S)-4-[(1S)-cyclohex-2-en-1-yl]morpholin-2-yl]methyl-methylamino]acetamide
CID 124875437
methyl (2S)-1-[(1S)-cyclohex-2-en-1-yl]pyrrolidine-2-carboxylate
CID 95628939
2-[1-[(2E)-cyclooct-2-en-1-yl]piperidin-4-yl]oxyacetic acid
CID 114228011
methyl (3S,8aR)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazine-3-carboxylate
CID 98041438
methyl 4-ethylmorpholine-2-carboxylate
CID 78926280
methyl 4-[2-(cyclopentylamino)-2-oxoethyl]morpholine-2-carboxylate
CID 78926342
methyl 4-[2-(aminomethyl)-5-ethylcyclohexyl]morpholine-2-carboxylate
CID 115533866
methyl 4-[2-(cyclohexen-1-yl)acetyl]morpholine-2-carboxylate
CID 78947765

Frequently Asked Questions

What is the IUPAC name of methyl 4-[(2E)-cyclooct-2-en-1-yl]morpholine-2-carboxylate?
The IUPAC name of methyl 4-[(2E)-cyclooct-2-en-1-yl]morpholine-2-carboxylate (CID 114228063) is methyl 4-[(2E)-cyclooct-2-en-1-yl]morpholine-2-carboxylate.
What is the SMILES notation for methyl 4-[(2E)-cyclooct-2-en-1-yl]morpholine-2-carboxylate?
The canonical SMILES for methyl 4-[(2E)-cyclooct-2-en-1-yl]morpholine-2-carboxylate is COC(=O)C1CN(C2/C=C\CCCCC2)CCO1.
What is the InChIKey of methyl 4-[(2E)-cyclooct-2-en-1-yl]morpholine-2-carboxylate?
The InChIKey is XQXIJBWKABHLMJ-ALCCZGGFSA-N. The full InChI is InChI=1S/C14H23NO3/c1-17-14(16)13-11-15(9-10-18-13)12-7-5-3-2-4-6-8-12/h5,7,12-13H,2-4,6,8-11H2,1H3/b7-5-.
What are the key properties of methyl 4-[(2E)-cyclooct-2-en-1-yl]morpholine-2-carboxylate?
methyl 4-[(2E)-cyclooct-2-en-1-yl]morpholine-2-carboxylate has a molecular weight of 253.34 g/mol, XLogP of 1.75, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[(2E)-cyclooct-2-en-1-yl]morpholine-2-carboxylate is sourced from PubChem (CID 114228063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).