4-(2-methoxyethoxy)-3-methyl-1H-pyridin-2-one

C9H13NO3 — CID 19600575

IUPAC4-(2-methoxyethoxy)-3-methyl-1H-pyridin-2-one
SMILESCOCCOc1cc[nH]c(=O)c1C
InChIInChI=1S/C9H13NO3/c1-7-8(13-6-5-12-2)3-4-10-9(7)11/h3-4H,5-6H2,1-2H3,(H,10,11)
InChIKeyCVTUJDIACKLUJK-UHFFFAOYSA-N
MW183.21 g/mol
LogP0.71
Rot. Bonds4

About 4-(2-methoxyethoxy)-3-methyl-1H-pyridin-2-one

4-(2-methoxyethoxy)-3-methyl-1H-pyridin-2-one (PubChem CID 19600575) has the molecular formula C9H13NO3 and a molecular weight of 183.21 g/mol. Its IUPAC name is 4-(2-methoxyethoxy)-3-methyl-1H-pyridin-2-one.

Molecular Properties

Compound Name4-(2-methoxyethoxy)-3-methyl-1H-pyridin-2-one
PubChem CID19600575
Molecular FormulaC9H13NO3
Molecular Weight183.21 g/mol
Exact Mass183.09
IUPAC Name4-(2-methoxyethoxy)-3-methyl-1H-pyridin-2-one
SMILESCOCCOc1cc[nH]c(=O)c1C
InChIInChI=1S/C9H13NO3/c1-7-8(13-6-5-12-2)3-4-10-9(7)11/h3-4H,5-6H2,1-2H3,(H,10,11)
InChIKeyCVTUJDIACKLUJK-UHFFFAOYSA-N
XLogP0.71
TPSA51.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.21
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 4-(2-methoxyethoxy)-3-methyl-1H-pyridin-2-one?
The IUPAC name of 4-(2-methoxyethoxy)-3-methyl-1H-pyridin-2-one (CID 19600575) is 4-(2-methoxyethoxy)-3-methyl-1H-pyridin-2-one.
What is the SMILES notation for 4-(2-methoxyethoxy)-3-methyl-1H-pyridin-2-one?
The canonical SMILES for 4-(2-methoxyethoxy)-3-methyl-1H-pyridin-2-one is COCCOc1cc[nH]c(=O)c1C.
What is the InChIKey of 4-(2-methoxyethoxy)-3-methyl-1H-pyridin-2-one?
The InChIKey is CVTUJDIACKLUJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO3/c1-7-8(13-6-5-12-2)3-4-10-9(7)11/h3-4H,5-6H2,1-2H3,(H,10,11).
What are the key properties of 4-(2-methoxyethoxy)-3-methyl-1H-pyridin-2-one?
4-(2-methoxyethoxy)-3-methyl-1H-pyridin-2-one has a molecular weight of 183.21 g/mol, XLogP of 0.71, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methoxyethoxy)-3-methyl-1H-pyridin-2-one is sourced from PubChem (CID 19600575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).