1-(2-methylpropyl)-4-pentoxypyridin-2-one

C14H23NO2 — CID 67306060

IUPAC1-(2-methylpropyl)-4-pentoxypyridin-2-one
SMILESCCCCCOc1ccn(CC(C)C)c(=O)c1
InChIInChI=1S/C14H23NO2/c1-4-5-6-9-17-13-7-8-15(11-12(2)3)14(16)10-13/h7-8,10,12H,4-6,9,11H2,1-3H3
InChIKeyDGTKPVVVCREQNL-UHFFFAOYSA-N
MW237.34 g/mol
LogP3.07
Rot. Bonds7

About 1-(2-methylpropyl)-4-pentoxypyridin-2-one

1-(2-methylpropyl)-4-pentoxypyridin-2-one (PubChem CID 67306060) has the molecular formula C14H23NO2 and a molecular weight of 237.34 g/mol. Its IUPAC name is 1-(2-methylpropyl)-4-pentoxypyridin-2-one.

Molecular Properties

Compound Name1-(2-methylpropyl)-4-pentoxypyridin-2-one
PubChem CID67306060
Molecular FormulaC14H23NO2
Molecular Weight237.34 g/mol
Exact Mass237.17
IUPAC Name1-(2-methylpropyl)-4-pentoxypyridin-2-one
SMILESCCCCCOc1ccn(CC(C)C)c(=O)c1
InChIInChI=1S/C14H23NO2/c1-4-5-6-9-17-13-7-8-15(11-12(2)3)14(16)10-13/h7-8,10,12H,4-6,9,11H2,1-3H3
InChIKeyDGTKPVVVCREQNL-UHFFFAOYSA-N
XLogP3.07
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.34
LogP ≤ 53.07
H-Bond Donors ≤ 50
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 1-(2-methylpropyl)-4-pentoxypyridin-2-one?
The IUPAC name of 1-(2-methylpropyl)-4-pentoxypyridin-2-one (CID 67306060) is 1-(2-methylpropyl)-4-pentoxypyridin-2-one.
What is the SMILES notation for 1-(2-methylpropyl)-4-pentoxypyridin-2-one?
The canonical SMILES for 1-(2-methylpropyl)-4-pentoxypyridin-2-one is CCCCCOc1ccn(CC(C)C)c(=O)c1.
What is the InChIKey of 1-(2-methylpropyl)-4-pentoxypyridin-2-one?
The InChIKey is DGTKPVVVCREQNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO2/c1-4-5-6-9-17-13-7-8-15(11-12(2)3)14(16)10-13/h7-8,10,12H,4-6,9,11H2,1-3H3.
What are the key properties of 1-(2-methylpropyl)-4-pentoxypyridin-2-one?
1-(2-methylpropyl)-4-pentoxypyridin-2-one has a molecular weight of 237.34 g/mol, XLogP of 3.07, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylpropyl)-4-pentoxypyridin-2-one is sourced from PubChem (CID 67306060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).