2-(2-bicyclo[2.2.1]heptanyl)-1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)ethanol

C17H23NO — CID 115819525

IUPAC2-(2-bicyclo[2.2.1]heptanyl)-1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)ethanol
SMILESOC(CC1CC2CCC1C2)C1CCc2cccnc21
InChIInChI=1S/C17H23NO/c19-16(10-14-9-11-3-4-13(14)8-11)15-6-5-12-2-1-7-18-17(12)15/h1-2,7,11,13-16,19H,3-6,8-10H2
InChIKeyPZUMBJIIHKNTCB-UHFFFAOYSA-N
MW257.38 g/mol
LogP3.30
Rot. Bonds3

About 2-(2-bicyclo[2.2.1]heptanyl)-1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)ethanol

2-(2-bicyclo[2.2.1]heptanyl)-1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)ethanol (PubChem CID 115819525) has the molecular formula C17H23NO and a molecular weight of 257.38 g/mol. Its IUPAC name is 2-(2-bicyclo[2.2.1]heptanyl)-1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)ethanol.

Molecular Properties

Compound Name2-(2-bicyclo[2.2.1]heptanyl)-1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)ethanol
PubChem CID115819525
Molecular FormulaC17H23NO
Molecular Weight257.38 g/mol
Exact Mass257.18
IUPAC Name2-(2-bicyclo[2.2.1]heptanyl)-1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)ethanol
SMILESOC(CC1CC2CCC1C2)C1CCc2cccnc21
InChIInChI=1S/C17H23NO/c19-16(10-14-9-11-3-4-13(14)8-11)15-6-5-12-2-1-7-18-17(12)15/h1-2,7,11,13-16,19H,3-6,8-10H2
InChIKeyPZUMBJIIHKNTCB-UHFFFAOYSA-N
XLogP3.30
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(2-bicyclo[2.2.1]heptanyl)-1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)ethanol 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 2-(2-bicyclo[2.2.1]heptanyl)-1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)ethanol?
The IUPAC name of 2-(2-bicyclo[2.2.1]heptanyl)-1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)ethanol (CID 115819525) is 2-(2-bicyclo[2.2.1]heptanyl)-1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)ethanol.
What is the SMILES notation for 2-(2-bicyclo[2.2.1]heptanyl)-1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)ethanol?
The canonical SMILES for 2-(2-bicyclo[2.2.1]heptanyl)-1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)ethanol is OC(CC1CC2CCC1C2)C1CCc2cccnc21.
What is the InChIKey of 2-(2-bicyclo[2.2.1]heptanyl)-1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)ethanol?
The InChIKey is PZUMBJIIHKNTCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO/c19-16(10-14-9-11-3-4-13(14)8-11)15-6-5-12-2-1-7-18-17(12)15/h1-2,7,11,13-16,19H,3-6,8-10H2.
What are the key properties of 2-(2-bicyclo[2.2.1]heptanyl)-1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)ethanol?
2-(2-bicyclo[2.2.1]heptanyl)-1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)ethanol has a molecular weight of 257.38 g/mol, XLogP of 3.30, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bicyclo[2.2.1]heptanyl)-1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)ethanol is sourced from PubChem (CID 115819525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).