2H-cyclohepta[c]pyridin-5-yl acetate

C12H11NO2 — CID 21276160

IUPAC2H-cyclohepta[c]pyridin-5-yl acetate
SMILESCC(=O)OC1=C2C=CNC=C2C=CC=C1
InChIInChI=1S/C12H11NO2/c1-9(14)15-12-5-3-2-4-10-8-13-7-6-11(10)12/h2-8,13H,1H3
InChIKeyOKJDEBURSPYOAV-UHFFFAOYSA-N
MW201.22 g/mol
LogP1.93
Rot. Bonds1

About 2H-cyclohepta[c]pyridin-5-yl acetate

2H-cyclohepta[c]pyridin-5-yl acetate (PubChem CID 21276160) has the molecular formula C12H11NO2 and a molecular weight of 201.22 g/mol. Its IUPAC name is 2H-cyclohepta[c]pyridin-5-yl acetate.

Molecular Properties

Compound Name2H-cyclohepta[c]pyridin-5-yl acetate
PubChem CID21276160
Molecular FormulaC12H11NO2
Molecular Weight201.22 g/mol
Exact Mass201.08
IUPAC Name2H-cyclohepta[c]pyridin-5-yl acetate
SMILESCC(=O)OC1=C2C=CNC=C2C=CC=C1
InChIInChI=1S/C12H11NO2/c1-9(14)15-12-5-3-2-4-10-8-13-7-6-11(10)12/h2-8,13H,1H3
InChIKeyOKJDEBURSPYOAV-UHFFFAOYSA-N
XLogP1.93
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.22
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2H-cyclohepta[c]pyridin-5-yl acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2H-cyclohepta[c]pyridin-5-yl acetate?
The IUPAC name of 2H-cyclohepta[c]pyridin-5-yl acetate (CID 21276160) is 2H-cyclohepta[c]pyridin-5-yl acetate.
What is the SMILES notation for 2H-cyclohepta[c]pyridin-5-yl acetate?
The canonical SMILES for 2H-cyclohepta[c]pyridin-5-yl acetate is CC(=O)OC1=C2C=CNC=C2C=CC=C1.
What is the InChIKey of 2H-cyclohepta[c]pyridin-5-yl acetate?
The InChIKey is OKJDEBURSPYOAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NO2/c1-9(14)15-12-5-3-2-4-10-8-13-7-6-11(10)12/h2-8,13H,1H3.
What are the key properties of 2H-cyclohepta[c]pyridin-5-yl acetate?
2H-cyclohepta[c]pyridin-5-yl acetate has a molecular weight of 201.22 g/mol, XLogP of 1.93, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2H-cyclohepta[c]pyridin-5-yl acetate is sourced from PubChem (CID 21276160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).