1-cycloheptyl-3-hydroxy-2-methylpyridin-4-one

C13H19NO2 — CID 82212044

IUPAC1-cycloheptyl-3-hydroxy-2-methylpyridin-4-one
SMILESCc1c(O)c(=O)ccn1C1CCCCCC1
InChIInChI=1S/C13H19NO2/c1-10-13(16)12(15)8-9-14(10)11-6-4-2-3-5-7-11/h8-9,11,16H,2-7H2,1H3
InChIKeyGRNOPGJVAVEBCT-UHFFFAOYSA-N
MW221.30 g/mol
LogP2.76
Rot. Bonds1

About 1-cycloheptyl-3-hydroxy-2-methylpyridin-4-one

1-cycloheptyl-3-hydroxy-2-methylpyridin-4-one (PubChem CID 82212044) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is 1-cycloheptyl-3-hydroxy-2-methylpyridin-4-one.

Molecular Properties

Compound Name1-cycloheptyl-3-hydroxy-2-methylpyridin-4-one
PubChem CID82212044
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC Name1-cycloheptyl-3-hydroxy-2-methylpyridin-4-one
SMILESCc1c(O)c(=O)ccn1C1CCCCCC1
InChIInChI=1S/C13H19NO2/c1-10-13(16)12(15)8-9-14(10)11-6-4-2-3-5-7-11/h8-9,11,16H,2-7H2,1H3
InChIKeyGRNOPGJVAVEBCT-UHFFFAOYSA-N
XLogP2.76
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-cycloheptyl-3-hydroxy-2-methylpyridin-4-one?
The IUPAC name of 1-cycloheptyl-3-hydroxy-2-methylpyridin-4-one (CID 82212044) is 1-cycloheptyl-3-hydroxy-2-methylpyridin-4-one.
What is the SMILES notation for 1-cycloheptyl-3-hydroxy-2-methylpyridin-4-one?
The canonical SMILES for 1-cycloheptyl-3-hydroxy-2-methylpyridin-4-one is Cc1c(O)c(=O)ccn1C1CCCCCC1.
What is the InChIKey of 1-cycloheptyl-3-hydroxy-2-methylpyridin-4-one?
The InChIKey is GRNOPGJVAVEBCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2/c1-10-13(16)12(15)8-9-14(10)11-6-4-2-3-5-7-11/h8-9,11,16H,2-7H2,1H3.
What are the key properties of 1-cycloheptyl-3-hydroxy-2-methylpyridin-4-one?
1-cycloheptyl-3-hydroxy-2-methylpyridin-4-one has a molecular weight of 221.30 g/mol, XLogP of 2.76, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cycloheptyl-3-hydroxy-2-methylpyridin-4-one is sourced from PubChem (CID 82212044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).