[1-(2-ethoxyethyl)-2-methyl-4-oxo-3-pyridinyl] ethyl carbonate

C13H19NO5 — CID 19862609

IUPAC[1-(2-ethoxyethyl)-2-methyl-4-oxo-3-pyridinyl] ethyl carbonate
SMILESCCOCCn1ccc(=O)c(OC(=O)OCC)c1C
InChIInChI=1S/C13H19NO5/c1-4-17-9-8-14-7-6-11(15)12(10(14)3)19-13(16)18-5-2/h6-7H,4-5,8-9H2,1-3H3
InChIKeyDHBYVWMNYPGNMA-UHFFFAOYSA-N
MW269.30 g/mol
LogP1.73
Rot. Bonds6

About [1-(2-ethoxyethyl)-2-methyl-4-oxo-3-pyridinyl] ethyl carbonate

[1-(2-ethoxyethyl)-2-methyl-4-oxo-3-pyridinyl] ethyl carbonate (PubChem CID 19862609) has the molecular formula C13H19NO5 and a molecular weight of 269.30 g/mol. Its IUPAC name is [1-(2-ethoxyethyl)-2-methyl-4-oxo-3-pyridinyl] ethyl carbonate.

Molecular Properties

Compound Name[1-(2-ethoxyethyl)-2-methyl-4-oxo-3-pyridinyl] ethyl carbonate
PubChem CID19862609
Molecular FormulaC13H19NO5
Molecular Weight269.30 g/mol
Exact Mass269.13
IUPAC Name[1-(2-ethoxyethyl)-2-methyl-4-oxo-3-pyridinyl] ethyl carbonate
SMILESCCOCCn1ccc(=O)c(OC(=O)OCC)c1C
InChIInChI=1S/C13H19NO5/c1-4-17-9-8-14-7-6-11(15)12(10(14)3)19-13(16)18-5-2/h6-7H,4-5,8-9H2,1-3H3
InChIKeyDHBYVWMNYPGNMA-UHFFFAOYSA-N
XLogP1.73
TPSA66.76 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [1-(2-ethoxyethyl)-2-methyl-4-oxo-3-pyridinyl] ethyl carbonate?
The IUPAC name of [1-(2-ethoxyethyl)-2-methyl-4-oxo-3-pyridinyl] ethyl carbonate (CID 19862609) is [1-(2-ethoxyethyl)-2-methyl-4-oxo-3-pyridinyl] ethyl carbonate.
What is the SMILES notation for [1-(2-ethoxyethyl)-2-methyl-4-oxo-3-pyridinyl] ethyl carbonate?
The canonical SMILES for [1-(2-ethoxyethyl)-2-methyl-4-oxo-3-pyridinyl] ethyl carbonate is CCOCCn1ccc(=O)c(OC(=O)OCC)c1C.
What is the InChIKey of [1-(2-ethoxyethyl)-2-methyl-4-oxo-3-pyridinyl] ethyl carbonate?
The InChIKey is DHBYVWMNYPGNMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO5/c1-4-17-9-8-14-7-6-11(15)12(10(14)3)19-13(16)18-5-2/h6-7H,4-5,8-9H2,1-3H3.
What are the key properties of [1-(2-ethoxyethyl)-2-methyl-4-oxo-3-pyridinyl] ethyl carbonate?
[1-(2-ethoxyethyl)-2-methyl-4-oxo-3-pyridinyl] ethyl carbonate has a molecular weight of 269.30 g/mol, XLogP of 1.73, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-ethoxyethyl)-2-methyl-4-oxo-3-pyridinyl] ethyl carbonate is sourced from PubChem (CID 19862609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).