ethyl 3-acetyloxy-3,6-dihydro-2H-pyridine-1-carboxylate

C10H15NO4 — CID 11481289

IUPACethyl 3-acetyloxy-3,6-dihydro-2H-pyridine-1-carboxylate
SMILESCCOC(=O)N1CC=CC(OC(C)=O)C1
InChIInChI=1S/C10H15NO4/c1-3-14-10(13)11-6-4-5-9(7-11)15-8(2)12/h4-5,9H,3,6-7H2,1-2H3
InChIKeyKOKGOXCOXOMOCZ-UHFFFAOYSA-N
MW213.23 g/mol
LogP0.95
Rot. Bonds2

About ethyl 3-acetyloxy-3,6-dihydro-2H-pyridine-1-carboxylate

ethyl 3-acetyloxy-3,6-dihydro-2H-pyridine-1-carboxylate (PubChem CID 11481289) has the molecular formula C10H15NO4 and a molecular weight of 213.23 g/mol. Its IUPAC name is ethyl 3-acetyloxy-3,6-dihydro-2H-pyridine-1-carboxylate.

Molecular Properties

Compound Nameethyl 3-acetyloxy-3,6-dihydro-2H-pyridine-1-carboxylate
PubChem CID11481289
Molecular FormulaC10H15NO4
Molecular Weight213.23 g/mol
Exact Mass213.10
IUPAC Nameethyl 3-acetyloxy-3,6-dihydro-2H-pyridine-1-carboxylate
SMILESCCOC(=O)N1CC=CC(OC(C)=O)C1
InChIInChI=1S/C10H15NO4/c1-3-14-10(13)11-6-4-5-9(7-11)15-8(2)12/h4-5,9H,3,6-7H2,1-2H3
InChIKeyKOKGOXCOXOMOCZ-UHFFFAOYSA-N
XLogP0.95
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.23
LogP ≤ 50.95
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

1-Methyl-1,2,3,6-tetrahydropyridin-3-yl acetate
CID 54131508
tert-butyl 3-acetyloxy-3,6-dihydro-2H-pyridine-1-carboxylate
CID 10879283
[(2R,3R)-1-acetyl-2-[(1S)-1-acetyloxyprop-2-enyl]-3,6-dihydro-2H-pyridin-3-yl] acetate
CID 11208287
Tert-butyl 3-methoxycarbonyloxy-3,6-dihydro-2H-pyridine-1-carboxylate
CID 11414208
3-acetyloxy-3,6-dihydro-2H-pyridine-1-carboxylic acid
CID 21874284
5-Prop-1-enyl-3-propyl-1,3-oxazolidin-2-one
CID 57238890
ethyl (3S)-3-acetyloxy-3,6-dihydro-2H-pyridine-1-carboxylate
CID 58745585
(5R)-5-prop-1-enyl-3-propyl-1,3-oxazolidin-2-one
CID 67800037
(5S)-5-prop-1-enyl-3-propyl-1,3-oxazolidin-2-one
CID 67800507
methyl N-methyl-N-[[(2R)-6-oxo-2,3-dihydropyran-2-yl]methyl]carbamate
CID 89146606
(S,Z)-4-(morpholine-4-carbonyloxy)pent-2-enoic acid
CID 90236898
[(Z,2S)-5-ethoxy-5-oxopent-3-en-2-yl] morpholine-4-carboxylate
CID 90246476

Frequently Asked Questions

What is the IUPAC name of ethyl 3-acetyloxy-3,6-dihydro-2H-pyridine-1-carboxylate?
The IUPAC name of ethyl 3-acetyloxy-3,6-dihydro-2H-pyridine-1-carboxylate (CID 11481289) is ethyl 3-acetyloxy-3,6-dihydro-2H-pyridine-1-carboxylate.
What is the SMILES notation for ethyl 3-acetyloxy-3,6-dihydro-2H-pyridine-1-carboxylate?
The canonical SMILES for ethyl 3-acetyloxy-3,6-dihydro-2H-pyridine-1-carboxylate is CCOC(=O)N1CC=CC(OC(C)=O)C1.
What is the InChIKey of ethyl 3-acetyloxy-3,6-dihydro-2H-pyridine-1-carboxylate?
The InChIKey is KOKGOXCOXOMOCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO4/c1-3-14-10(13)11-6-4-5-9(7-11)15-8(2)12/h4-5,9H,3,6-7H2,1-2H3.
What are the key properties of ethyl 3-acetyloxy-3,6-dihydro-2H-pyridine-1-carboxylate?
ethyl 3-acetyloxy-3,6-dihydro-2H-pyridine-1-carboxylate has a molecular weight of 213.23 g/mol, XLogP of 0.95, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-acetyloxy-3,6-dihydro-2H-pyridine-1-carboxylate is sourced from PubChem (CID 11481289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).