(5-oxooxolan-2-yl)methyl 6-(morpholine-4-carbonyl)cyclohex-3-ene-1-carboxylate

C17H23NO6 — CID 166284045

IUPAC(5-oxooxolan-2-yl)methyl 6-(morpholine-4-carbonyl)cyclohex-3-ene-1-carboxylate
SMILESO=C1CCC(COC(=O)C2CC=CCC2C(=O)N2CCOCC2)O1
InChIInChI=1S/C17H23NO6/c19-15-6-5-12(24-15)11-23-17(21)14-4-2-1-3-13(14)16(20)18-7-9-22-10-8-18/h1-2,12-14H,3-11H2
InChIKeyIYYWZLXNPCGWBP-UHFFFAOYSA-N
MW337.37 g/mol
LogP0.68
Rot. Bonds4

About (5-oxooxolan-2-yl)methyl 6-(morpholine-4-carbonyl)cyclohex-3-ene-1-carboxylate

(5-oxooxolan-2-yl)methyl 6-(morpholine-4-carbonyl)cyclohex-3-ene-1-carboxylate (PubChem CID 166284045) has the molecular formula C17H23NO6 and a molecular weight of 337.37 g/mol. Its IUPAC name is (5-oxooxolan-2-yl)methyl 6-(morpholine-4-carbonyl)cyclohex-3-ene-1-carboxylate.

Molecular Properties

Compound Name(5-oxooxolan-2-yl)methyl 6-(morpholine-4-carbonyl)cyclohex-3-ene-1-carboxylate
PubChem CID166284045
Molecular FormulaC17H23NO6
Molecular Weight337.37 g/mol
Exact Mass337.15
IUPAC Name(5-oxooxolan-2-yl)methyl 6-(morpholine-4-carbonyl)cyclohex-3-ene-1-carboxylate
SMILESO=C1CCC(COC(=O)C2CC=CCC2C(=O)N2CCOCC2)O1
InChIInChI=1S/C17H23NO6/c19-15-6-5-12(24-15)11-23-17(21)14-4-2-1-3-13(14)16(20)18-7-9-22-10-8-18/h1-2,12-14H,3-11H2
InChIKeyIYYWZLXNPCGWBP-UHFFFAOYSA-N
XLogP0.68
TPSA82.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.37
LogP ≤ 50.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-ethyl-6-(morpholine-4-carbonyl)cyclohex-3-ene-1-carboxamide
CID 19133522
[(1R,6R)-6-[(3S,4R)-3,4-dimethylpiperidine-1-carbonyl]cyclohex-3-en-1-yl]-morpholin-4-ylmethanone
CID 129430953
propyl (2R,3S)-3-(morpholine-4-carbonyl)-5-oxooxolane-2-carboxylate
CID 46831566
(1S,6R)-6-(morpholine-4-carbonyl)-N-(4-sulfamoylphenyl)cyclohex-3-ene-1-carboxamide
CID 1125531
(1S,6S)-N-[(2R)-2-cyclohexyl-2-hydroxyethyl]-6-(morpholine-4-carbonyl)cyclohex-3-ene-1-carboxamide
CID 99778519
N-(4-acetylphenyl)-6-(morpholine-4-carbonyl)cyclohex-3-ene-1-carboxamide
CID 19133552
[(2S)-oxolan-2-yl]methyl (1S,6R)-6-[(4-bromophenyl)carbamoyl]cyclohex-3-ene-1-carboxylate
CID 7068788
(1S,6S)-N-hex-5-ynyl-6-(morpholine-4-carbonyl)cyclohex-3-ene-1-carboxamide
CID 99829878
(4R,5S)-5-(1,3,2-dioxaphosphetan-2-yl)-4-(morpholine-4-carbonyl)oxolan-2-one
CID 70224373
(1R,6S)-N-(3-hydroxy-2-pyridinyl)-6-(morpholine-4-carbonyl)cyclohex-3-ene-1-carboxamide
CID 129477988
[(2S)-oxolan-2-yl]methyl (1R,6R)-6-(phenylcarbamoyl)cyclohex-3-ene-1-carboxylate
CID 727111
(1S,6R)-6-[4-(methoxymethyl)piperidine-1-carbonyl]cyclohex-3-ene-1-carboxylic acid
CID 104962457

Frequently Asked Questions

What is the IUPAC name of (5-oxooxolan-2-yl)methyl 6-(morpholine-4-carbonyl)cyclohex-3-ene-1-carboxylate?
The IUPAC name of (5-oxooxolan-2-yl)methyl 6-(morpholine-4-carbonyl)cyclohex-3-ene-1-carboxylate (CID 166284045) is (5-oxooxolan-2-yl)methyl 6-(morpholine-4-carbonyl)cyclohex-3-ene-1-carboxylate.
What is the SMILES notation for (5-oxooxolan-2-yl)methyl 6-(morpholine-4-carbonyl)cyclohex-3-ene-1-carboxylate?
The canonical SMILES for (5-oxooxolan-2-yl)methyl 6-(morpholine-4-carbonyl)cyclohex-3-ene-1-carboxylate is O=C1CCC(COC(=O)C2CC=CCC2C(=O)N2CCOCC2)O1.
What is the InChIKey of (5-oxooxolan-2-yl)methyl 6-(morpholine-4-carbonyl)cyclohex-3-ene-1-carboxylate?
The InChIKey is IYYWZLXNPCGWBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO6/c19-15-6-5-12(24-15)11-23-17(21)14-4-2-1-3-13(14)16(20)18-7-9-22-10-8-18/h1-2,12-14H,3-11H2.
What are the key properties of (5-oxooxolan-2-yl)methyl 6-(morpholine-4-carbonyl)cyclohex-3-ene-1-carboxylate?
(5-oxooxolan-2-yl)methyl 6-(morpholine-4-carbonyl)cyclohex-3-ene-1-carboxylate has a molecular weight of 337.37 g/mol, XLogP of 0.68, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5-oxooxolan-2-yl)methyl 6-(morpholine-4-carbonyl)cyclohex-3-ene-1-carboxylate is sourced from PubChem (CID 166284045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).