[(2R,3R)-1-acetyl-2-[(1S)-1-acetyloxyprop-2-enyl]-3,6-dihydro-2H-pyridin-3-yl] acetate

C14H19NO5 — CID 11208287

IUPAC[(2R,3R)-1-acetyl-2-[(1S)-1-acetyloxyprop-2-enyl]-3,6-dihydro-2H-pyridin-3-yl] acetate
SMILESC=C[C@H](OC(C)=O)[C@@H]1[C@H](OC(C)=O)C=CCN1C(C)=O
InChIInChI=1S/C14H19NO5/c1-5-12(19-10(3)17)14-13(20-11(4)18)7-6-8-15(14)9(2)16/h5-7,12-14H,1,8H2,2-4H3/t12-,13+,14+/m0/s1
InChIKeyWPYFFUSOHGXUEU-BFHYXJOUSA-N
MW281.31 g/mol
LogP0.82
Rot. Bonds4

About [(2R,3R)-1-acetyl-2-[(1S)-1-acetyloxyprop-2-enyl]-3,6-dihydro-2H-pyridin-3-yl] acetate

[(2R,3R)-1-acetyl-2-[(1S)-1-acetyloxyprop-2-enyl]-3,6-dihydro-2H-pyridin-3-yl] acetate (PubChem CID 11208287) has the molecular formula C14H19NO5 and a molecular weight of 281.31 g/mol. Its IUPAC name is [(2R,3R)-1-acetyl-2-[(1S)-1-acetyloxyprop-2-enyl]-3,6-dihydro-2H-pyridin-3-yl] acetate.

Molecular Properties

Compound Name[(2R,3R)-1-acetyl-2-[(1S)-1-acetyloxyprop-2-enyl]-3,6-dihydro-2H-pyridin-3-yl] acetate
PubChem CID11208287
Molecular FormulaC14H19NO5
Molecular Weight281.31 g/mol
Exact Mass281.13
IUPAC Name[(2R,3R)-1-acetyl-2-[(1S)-1-acetyloxyprop-2-enyl]-3,6-dihydro-2H-pyridin-3-yl] acetate
SMILESC=C[C@H](OC(C)=O)[C@@H]1[C@H](OC(C)=O)C=CCN1C(C)=O
InChIInChI=1S/C14H19NO5/c1-5-12(19-10(3)17)14-13(20-11(4)18)7-6-8-15(14)9(2)16/h5-7,12-14H,1,8H2,2-4H3/t12-,13+,14+/m0/s1
InChIKeyWPYFFUSOHGXUEU-BFHYXJOUSA-N
XLogP0.82
TPSA72.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 50.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze [(2R,3R)-1-acetyl-2-[(1S)-1-acetyloxyprop-2-enyl]-3,6-dihydro-2H-pyridin-3-yl] acetate with MolForge

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Related Compounds

tert-butyl 3-acetyloxy-3,6-dihydro-2H-pyridine-1-carboxylate
CID 10879283
[(1R,4S)-4-acetyloxy-5-[acetyl(prop-2-enyl)amino]cyclopent-2-en-1-yl] acetate
CID 11448889
1-O-tert-butyl 2-O-ethyl (2R,3R)-3-acetyloxy-3,6-dihydro-2H-pyridine-1,2-dicarboxylate
CID 134837360
(E)-6-((2-methoxy-2-oxoethyl)(methyl)amino)-6-oxohex-4-ene-1,3-diyl diacetate
CID 168267414
ethyl (4aS,5R,7aR)-5-methoxy-2-oxo-3,4a,5,7a-tetrahydrocyclopenta[b][1,4]oxazine-4-carboxylate
CID 10633836
(+/-)-ethyl 5-acetoxy-5,6-dihydropyridine-1(2H)-carboxylate
CID 11481289
3-acetyloxy-3,6-dihydro-2H-pyridine-1-carboxylic acid
CID 21874284
ethyl (3S)-3-acetyloxy-3,6-dihydro-2H-pyridine-1-carboxylate
CID 58745585
tert-butyl 3-butoxy-2-(hydroxymethyl)-3,6-dihydro-2H-pyridine-1-carboxylate
CID 118146693
3-Butoxy-1-(2-butoxyethyl)-2-(butoxymethyl)-2,3-dihydropyridin-6-one
CID 132108530
3-Butoxy-2-(butoxymethyl)-1-prop-2-enyl-2,3-dihydropyridin-6-one
CID 132108570
3-Butoxy-2-(butoxymethyl)-1-methyl-2,3-dihydropyridin-6-one
CID 132108572

Frequently Asked Questions

What is the IUPAC name of [(2R,3R)-1-acetyl-2-[(1S)-1-acetyloxyprop-2-enyl]-3,6-dihydro-2H-pyridin-3-yl] acetate?
The IUPAC name of [(2R,3R)-1-acetyl-2-[(1S)-1-acetyloxyprop-2-enyl]-3,6-dihydro-2H-pyridin-3-yl] acetate (CID 11208287) is [(2R,3R)-1-acetyl-2-[(1S)-1-acetyloxyprop-2-enyl]-3,6-dihydro-2H-pyridin-3-yl] acetate.
What is the SMILES notation for [(2R,3R)-1-acetyl-2-[(1S)-1-acetyloxyprop-2-enyl]-3,6-dihydro-2H-pyridin-3-yl] acetate?
The canonical SMILES for [(2R,3R)-1-acetyl-2-[(1S)-1-acetyloxyprop-2-enyl]-3,6-dihydro-2H-pyridin-3-yl] acetate is C=C[C@H](OC(C)=O)[C@@H]1[C@H](OC(C)=O)C=CCN1C(C)=O.
What is the InChIKey of [(2R,3R)-1-acetyl-2-[(1S)-1-acetyloxyprop-2-enyl]-3,6-dihydro-2H-pyridin-3-yl] acetate?
The InChIKey is WPYFFUSOHGXUEU-BFHYXJOUSA-N. The full InChI is InChI=1S/C14H19NO5/c1-5-12(19-10(3)17)14-13(20-11(4)18)7-6-8-15(14)9(2)16/h5-7,12-14H,1,8H2,2-4H3/t12-,13+,14+/m0/s1.
What are the key properties of [(2R,3R)-1-acetyl-2-[(1S)-1-acetyloxyprop-2-enyl]-3,6-dihydro-2H-pyridin-3-yl] acetate?
[(2R,3R)-1-acetyl-2-[(1S)-1-acetyloxyprop-2-enyl]-3,6-dihydro-2H-pyridin-3-yl] acetate has a molecular weight of 281.31 g/mol, XLogP of 0.82, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3R)-1-acetyl-2-[(1S)-1-acetyloxyprop-2-enyl]-3,6-dihydro-2H-pyridin-3-yl] acetate is sourced from PubChem (CID 11208287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).