methyl 2-(2-pyridin-3-ylcycloheptyl)acetate

C15H21NO2 — CID 82244502

IUPACmethyl 2-(2-pyridin-3-ylcycloheptyl)acetate
SMILESCOC(=O)CC1CCCCCC1c1cccnc1
InChIInChI=1S/C15H21NO2/c1-18-15(17)10-12-6-3-2-4-8-14(12)13-7-5-9-16-11-13/h5,7,9,11-12,14H,2-4,6,8,10H2,1H3
InChIKeyFTVCKSJKOJFYOE-UHFFFAOYSA-N
MW247.34 g/mol
LogP3.31
Rot. Bonds3

About methyl 2-(2-pyridin-3-ylcycloheptyl)acetate

methyl 2-(2-pyridin-3-ylcycloheptyl)acetate (PubChem CID 82244502) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is methyl 2-(2-pyridin-3-ylcycloheptyl)acetate.

Molecular Properties

Compound Namemethyl 2-(2-pyridin-3-ylcycloheptyl)acetate
PubChem CID82244502
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC Namemethyl 2-(2-pyridin-3-ylcycloheptyl)acetate
SMILESCOC(=O)CC1CCCCCC1c1cccnc1
InChIInChI=1S/C15H21NO2/c1-18-15(17)10-12-6-3-2-4-8-14(12)13-7-5-9-16-11-13/h5,7,9,11-12,14H,2-4,6,8,10H2,1H3
InChIKeyFTVCKSJKOJFYOE-UHFFFAOYSA-N
XLogP3.31
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze methyl 2-(2-pyridin-3-ylcycloheptyl)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 methyl 2-(2-pyridin-3-ylcycloheptyl)acetate?
The IUPAC name of methyl 2-(2-pyridin-3-ylcycloheptyl)acetate (CID 82244502) is methyl 2-(2-pyridin-3-ylcycloheptyl)acetate.
What is the SMILES notation for methyl 2-(2-pyridin-3-ylcycloheptyl)acetate?
The canonical SMILES for methyl 2-(2-pyridin-3-ylcycloheptyl)acetate is COC(=O)CC1CCCCCC1c1cccnc1.
What is the InChIKey of methyl 2-(2-pyridin-3-ylcycloheptyl)acetate?
The InChIKey is FTVCKSJKOJFYOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2/c1-18-15(17)10-12-6-3-2-4-8-14(12)13-7-5-9-16-11-13/h5,7,9,11-12,14H,2-4,6,8,10H2,1H3.
What are the key properties of methyl 2-(2-pyridin-3-ylcycloheptyl)acetate?
methyl 2-(2-pyridin-3-ylcycloheptyl)acetate has a molecular weight of 247.34 g/mol, XLogP of 3.31, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2-pyridin-3-ylcycloheptyl)acetate is sourced from PubChem (CID 82244502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).