1-cycloheptyl-2-ethyl-3-hydroxypyridin-4-one

C14H21NO2 — CID 82212045

IUPAC1-cycloheptyl-2-ethyl-3-hydroxypyridin-4-one
SMILESCCc1c(O)c(=O)ccn1C1CCCCCC1
InChIInChI=1S/C14H21NO2/c1-2-12-14(17)13(16)9-10-15(12)11-7-5-3-4-6-8-11/h9-11,17H,2-8H2,1H3
InChIKeyIGASHOIVROUSDB-UHFFFAOYSA-N
MW235.33 g/mol
LogP3.01
Rot. Bonds2

About 1-cycloheptyl-2-ethyl-3-hydroxypyridin-4-one

1-cycloheptyl-2-ethyl-3-hydroxypyridin-4-one (PubChem CID 82212045) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is 1-cycloheptyl-2-ethyl-3-hydroxypyridin-4-one.

Molecular Properties

Compound Name1-cycloheptyl-2-ethyl-3-hydroxypyridin-4-one
PubChem CID82212045
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Name1-cycloheptyl-2-ethyl-3-hydroxypyridin-4-one
SMILESCCc1c(O)c(=O)ccn1C1CCCCCC1
InChIInChI=1S/C14H21NO2/c1-2-12-14(17)13(16)9-10-15(12)11-7-5-3-4-6-8-11/h9-11,17H,2-8H2,1H3
InChIKeyIGASHOIVROUSDB-UHFFFAOYSA-N
XLogP3.01
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-cycloheptyl-2-ethyl-3-hydroxypyridin-4-one?
The IUPAC name of 1-cycloheptyl-2-ethyl-3-hydroxypyridin-4-one (CID 82212045) is 1-cycloheptyl-2-ethyl-3-hydroxypyridin-4-one.
What is the SMILES notation for 1-cycloheptyl-2-ethyl-3-hydroxypyridin-4-one?
The canonical SMILES for 1-cycloheptyl-2-ethyl-3-hydroxypyridin-4-one is CCc1c(O)c(=O)ccn1C1CCCCCC1.
What is the InChIKey of 1-cycloheptyl-2-ethyl-3-hydroxypyridin-4-one?
The InChIKey is IGASHOIVROUSDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c1-2-12-14(17)13(16)9-10-15(12)11-7-5-3-4-6-8-11/h9-11,17H,2-8H2,1H3.
What are the key properties of 1-cycloheptyl-2-ethyl-3-hydroxypyridin-4-one?
1-cycloheptyl-2-ethyl-3-hydroxypyridin-4-one has a molecular weight of 235.33 g/mol, XLogP of 3.01, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cycloheptyl-2-ethyl-3-hydroxypyridin-4-one is sourced from PubChem (CID 82212045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).