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

C11H17NO3 — CID 19600573

IUPAC4-(4-methoxybutoxy)-3-methyl-1H-pyridin-2-one
SMILESCOCCCCOc1cc[nH]c(=O)c1C
InChIInChI=1S/C11H17NO3/c1-9-10(5-6-12-11(9)13)15-8-4-3-7-14-2/h5-6H,3-4,7-8H2,1-2H3,(H,12,13)
InChIKeyPZCPDEWEDHTXGE-UHFFFAOYSA-N
MW211.26 g/mol
LogP1.49
Rot. Bonds6

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

4-(4-methoxybutoxy)-3-methyl-1H-pyridin-2-one (PubChem CID 19600573) has the molecular formula C11H17NO3 and a molecular weight of 211.26 g/mol. Its IUPAC name is 4-(4-methoxybutoxy)-3-methyl-1H-pyridin-2-one.

Molecular Properties

Compound Name4-(4-methoxybutoxy)-3-methyl-1H-pyridin-2-one
PubChem CID19600573
Molecular FormulaC11H17NO3
Molecular Weight211.26 g/mol
Exact Mass211.12
IUPAC Name4-(4-methoxybutoxy)-3-methyl-1H-pyridin-2-one
SMILESCOCCCCOc1cc[nH]c(=O)c1C
InChIInChI=1S/C11H17NO3/c1-9-10(5-6-12-11(9)13)15-8-4-3-7-14-2/h5-6H,3-4,7-8H2,1-2H3,(H,12,13)
InChIKeyPZCPDEWEDHTXGE-UHFFFAOYSA-N
XLogP1.49
TPSA51.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 51.49
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-(4-methoxybutoxy)-3-methyl-1H-pyridin-2-one?
The IUPAC name of 4-(4-methoxybutoxy)-3-methyl-1H-pyridin-2-one (CID 19600573) is 4-(4-methoxybutoxy)-3-methyl-1H-pyridin-2-one.
What is the SMILES notation for 4-(4-methoxybutoxy)-3-methyl-1H-pyridin-2-one?
The canonical SMILES for 4-(4-methoxybutoxy)-3-methyl-1H-pyridin-2-one is COCCCCOc1cc[nH]c(=O)c1C.
What is the InChIKey of 4-(4-methoxybutoxy)-3-methyl-1H-pyridin-2-one?
The InChIKey is PZCPDEWEDHTXGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO3/c1-9-10(5-6-12-11(9)13)15-8-4-3-7-14-2/h5-6H,3-4,7-8H2,1-2H3,(H,12,13).
What are the key properties of 4-(4-methoxybutoxy)-3-methyl-1H-pyridin-2-one?
4-(4-methoxybutoxy)-3-methyl-1H-pyridin-2-one has a molecular weight of 211.26 g/mol, XLogP of 1.49, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxybutoxy)-3-methyl-1H-pyridin-2-one is sourced from PubChem (CID 19600573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).