prop-2-enyl (1R,4S,6S)-1,4-dihydroxy-6-(morpholine-4-carbonyl)cyclohex-2-ene-1-carboxylate

C15H21NO6 — CID 162417871

IUPACprop-2-enyl (1R,4S,6S)-1,4-dihydroxy-6-(morpholine-4-carbonyl)cyclohex-2-ene-1-carboxylate
SMILESC=CCOC(=O)[C@@]1(O)C=C[C@@H](O)C[C@@H]1C(=O)N1CCOCC1
InChIInChI=1S/C15H21NO6/c1-2-7-22-14(19)15(20)4-3-11(17)10-12(15)13(18)16-5-8-21-9-6-16/h2-4,11-12,17,20H,1,5-10H2/t11-,12-,15-/m1/s1
InChIKeyPOSAFENQRFQZMV-LALPHHSUSA-N
MW311.33 g/mol
LogP-0.76
Rot. Bonds4

About prop-2-enyl (1R,4S,6S)-1,4-dihydroxy-6-(morpholine-4-carbonyl)cyclohex-2-ene-1-carboxylate

prop-2-enyl (1R,4S,6S)-1,4-dihydroxy-6-(morpholine-4-carbonyl)cyclohex-2-ene-1-carboxylate (PubChem CID 162417871) has the molecular formula C15H21NO6 and a molecular weight of 311.33 g/mol. Its IUPAC name is prop-2-enyl (1R,4S,6S)-1,4-dihydroxy-6-(morpholine-4-carbonyl)cyclohex-2-ene-1-carboxylate.

Molecular Properties

Compound Nameprop-2-enyl (1R,4S,6S)-1,4-dihydroxy-6-(morpholine-4-carbonyl)cyclohex-2-ene-1-carboxylate
PubChem CID162417871
Molecular FormulaC15H21NO6
Molecular Weight311.33 g/mol
Exact Mass311.14
IUPAC Nameprop-2-enyl (1R,4S,6S)-1,4-dihydroxy-6-(morpholine-4-carbonyl)cyclohex-2-ene-1-carboxylate
SMILESC=CCOC(=O)[C@@]1(O)C=C[C@@H](O)C[C@@H]1C(=O)N1CCOCC1
InChIInChI=1S/C15H21NO6/c1-2-7-22-14(19)15(20)4-3-11(17)10-12(15)13(18)16-5-8-21-9-6-16/h2-4,11-12,17,20H,1,5-10H2/t11-,12-,15-/m1/s1
InChIKeyPOSAFENQRFQZMV-LALPHHSUSA-N
XLogP-0.76
TPSA96.30 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.33
LogP ≤ 5-0.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze prop-2-enyl (1R,4S,6S)-1,4-dihydroxy-6-(morpholine-4-carbonyl)cyclohex-2-ene-1-carboxylate with MolForge

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Related Compounds

(4S)-3-(4-hydroxy-3-oxo-2-oxabicyclo[2.2.2]oct-7-ene-5-carbonyl)-4-propan-2-yl-1,3-oxazolidin-2-one
CID 100954294
(4S)-3-[(1S,4R,5S)-4-hydroxy-3-oxo-2-oxabicyclo[2.2.2]oct-7-ene-5-carbonyl]-4-propan-2-yl-1,3-oxazolidin-2-one
CID 101936765
(4S)-3-[(1R,4S,5R)-4-hydroxy-3-oxo-2-oxabicyclo[2.2.2]oct-7-ene-5-carbonyl]-4-propan-2-yl-1,3-oxazolidin-2-one
CID 102375932
prop-2-enyl (1S,4R,5R)-1,4-dihydroxy-5-(morpholine-4-carbonyl)cyclohex-2-ene-1-carboxylate
CID 177513552
4-Hydroxy-5-methyl-8-(morpholine-4-carbonyl)-2-oxabicyclo[2.2.2]oct-5-en-3-one
CID 177557730
4-Hydroxy-7-(morpholine-4-carbonyl)-2-oxabicyclo[2.2.2]oct-5-en-3-one
CID 177559569

Frequently Asked Questions

What is the IUPAC name of prop-2-enyl (1R,4S,6S)-1,4-dihydroxy-6-(morpholine-4-carbonyl)cyclohex-2-ene-1-carboxylate?
The IUPAC name of prop-2-enyl (1R,4S,6S)-1,4-dihydroxy-6-(morpholine-4-carbonyl)cyclohex-2-ene-1-carboxylate (CID 162417871) is prop-2-enyl (1R,4S,6S)-1,4-dihydroxy-6-(morpholine-4-carbonyl)cyclohex-2-ene-1-carboxylate.
What is the SMILES notation for prop-2-enyl (1R,4S,6S)-1,4-dihydroxy-6-(morpholine-4-carbonyl)cyclohex-2-ene-1-carboxylate?
The canonical SMILES for prop-2-enyl (1R,4S,6S)-1,4-dihydroxy-6-(morpholine-4-carbonyl)cyclohex-2-ene-1-carboxylate is C=CCOC(=O)[C@@]1(O)C=C[C@@H](O)C[C@@H]1C(=O)N1CCOCC1.
What is the InChIKey of prop-2-enyl (1R,4S,6S)-1,4-dihydroxy-6-(morpholine-4-carbonyl)cyclohex-2-ene-1-carboxylate?
The InChIKey is POSAFENQRFQZMV-LALPHHSUSA-N. The full InChI is InChI=1S/C15H21NO6/c1-2-7-22-14(19)15(20)4-3-11(17)10-12(15)13(18)16-5-8-21-9-6-16/h2-4,11-12,17,20H,1,5-10H2/t11-,12-,15-/m1/s1.
What are the key properties of prop-2-enyl (1R,4S,6S)-1,4-dihydroxy-6-(morpholine-4-carbonyl)cyclohex-2-ene-1-carboxylate?
prop-2-enyl (1R,4S,6S)-1,4-dihydroxy-6-(morpholine-4-carbonyl)cyclohex-2-ene-1-carboxylate has a molecular weight of 311.33 g/mol, XLogP of -0.76, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enyl (1R,4S,6S)-1,4-dihydroxy-6-(morpholine-4-carbonyl)cyclohex-2-ene-1-carboxylate is sourced from PubChem (CID 162417871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).