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

C12H17NO5 — CID 19862603

IUPACethyl [1-(2-methoxyethyl)-2-methyl-4-oxo-3-pyridinyl] carbonate
SMILESCCOC(=O)Oc1c(C)n(CCOC)ccc1=O
InChIInChI=1S/C12H17NO5/c1-4-17-12(15)18-11-9(2)13(7-8-16-3)6-5-10(11)14/h5-6H,4,7-8H2,1-3H3
InChIKeyKSRYAOQJNALEDU-UHFFFAOYSA-N
MW255.27 g/mol
LogP1.34
Rot. Bonds5

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

ethyl [1-(2-methoxyethyl)-2-methyl-4-oxo-3-pyridinyl] carbonate (PubChem CID 19862603) has the molecular formula C12H17NO5 and a molecular weight of 255.27 g/mol. Its IUPAC name is ethyl [1-(2-methoxyethyl)-2-methyl-4-oxo-3-pyridinyl] carbonate.

Molecular Properties

Compound Nameethyl [1-(2-methoxyethyl)-2-methyl-4-oxo-3-pyridinyl] carbonate
PubChem CID19862603
Molecular FormulaC12H17NO5
Molecular Weight255.27 g/mol
Exact Mass255.11
IUPAC Nameethyl [1-(2-methoxyethyl)-2-methyl-4-oxo-3-pyridinyl] carbonate
SMILESCCOC(=O)Oc1c(C)n(CCOC)ccc1=O
InChIInChI=1S/C12H17NO5/c1-4-17-12(15)18-11-9(2)13(7-8-16-3)6-5-10(11)14/h5-6H,4,7-8H2,1-3H3
InChIKeyKSRYAOQJNALEDU-UHFFFAOYSA-N
XLogP1.34
TPSA66.76 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.27
LogP ≤ 51.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl [1-(2-methoxyethyl)-2-methyl-4-oxo-3-pyridinyl] carbonate?
The IUPAC name of ethyl [1-(2-methoxyethyl)-2-methyl-4-oxo-3-pyridinyl] carbonate (CID 19862603) is ethyl [1-(2-methoxyethyl)-2-methyl-4-oxo-3-pyridinyl] carbonate.
What is the SMILES notation for ethyl [1-(2-methoxyethyl)-2-methyl-4-oxo-3-pyridinyl] carbonate?
The canonical SMILES for ethyl [1-(2-methoxyethyl)-2-methyl-4-oxo-3-pyridinyl] carbonate is CCOC(=O)Oc1c(C)n(CCOC)ccc1=O.
What is the InChIKey of ethyl [1-(2-methoxyethyl)-2-methyl-4-oxo-3-pyridinyl] carbonate?
The InChIKey is KSRYAOQJNALEDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO5/c1-4-17-12(15)18-11-9(2)13(7-8-16-3)6-5-10(11)14/h5-6H,4,7-8H2,1-3H3.
What are the key properties of ethyl [1-(2-methoxyethyl)-2-methyl-4-oxo-3-pyridinyl] carbonate?
ethyl [1-(2-methoxyethyl)-2-methyl-4-oxo-3-pyridinyl] carbonate has a molecular weight of 255.27 g/mol, XLogP of 1.34, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl [1-(2-methoxyethyl)-2-methyl-4-oxo-3-pyridinyl] carbonate is sourced from PubChem (CID 19862603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).