1-cycloheptyl-2-methylpyridin-4-one

C13H19NO — CID 57094391

IUPAC1-cycloheptyl-2-methylpyridin-4-one
SMILESCc1cc(=O)ccn1C1CCCCCC1
InChIInChI=1S/C13H19NO/c1-11-10-13(15)8-9-14(11)12-6-4-2-3-5-7-12/h8-10,12H,2-7H2,1H3
InChIKeyZTJYGTKNBDXSJJ-UHFFFAOYSA-N
MW205.30 g/mol
LogP3.05
Rot. Bonds1

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

1-cycloheptyl-2-methylpyridin-4-one (PubChem CID 57094391) has the molecular formula C13H19NO and a molecular weight of 205.30 g/mol. Its IUPAC name is 1-cycloheptyl-2-methylpyridin-4-one.

Molecular Properties

Compound Name1-cycloheptyl-2-methylpyridin-4-one
PubChem CID57094391
Molecular FormulaC13H19NO
Molecular Weight205.30 g/mol
Exact Mass205.15
IUPAC Name1-cycloheptyl-2-methylpyridin-4-one
SMILESCc1cc(=O)ccn1C1CCCCCC1
InChIInChI=1S/C13H19NO/c1-11-10-13(15)8-9-14(11)12-6-4-2-3-5-7-12/h8-10,12H,2-7H2,1H3
InChIKeyZTJYGTKNBDXSJJ-UHFFFAOYSA-N
XLogP3.05
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-cycloheptyl-2-methylpyridin-4-one?
The IUPAC name of 1-cycloheptyl-2-methylpyridin-4-one (CID 57094391) is 1-cycloheptyl-2-methylpyridin-4-one.
What is the SMILES notation for 1-cycloheptyl-2-methylpyridin-4-one?
The canonical SMILES for 1-cycloheptyl-2-methylpyridin-4-one is Cc1cc(=O)ccn1C1CCCCCC1.
What is the InChIKey of 1-cycloheptyl-2-methylpyridin-4-one?
The InChIKey is ZTJYGTKNBDXSJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO/c1-11-10-13(15)8-9-14(11)12-6-4-2-3-5-7-12/h8-10,12H,2-7H2,1H3.
What are the key properties of 1-cycloheptyl-2-methylpyridin-4-one?
1-cycloheptyl-2-methylpyridin-4-one has a molecular weight of 205.30 g/mol, XLogP of 3.05, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cycloheptyl-2-methylpyridin-4-one is sourced from PubChem (CID 57094391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).