3-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-1-methylpyrrolidin-3-ol

C13H18N2O — CID 79740627

IUPAC3-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-1-methylpyrrolidin-3-ol
SMILESCN1CCC(O)(C2CCc3cccnc32)C1
InChIInChI=1S/C13H18N2O/c1-15-8-6-13(16,9-15)11-5-4-10-3-2-7-14-12(10)11/h2-3,7,11,16H,4-6,8-9H2,1H3
InChIKeyIQDBKBFZSDRGSR-UHFFFAOYSA-N
MW218.30 g/mol
LogP1.18
Rot. Bonds1

About 3-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-1-methylpyrrolidin-3-ol

3-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-1-methylpyrrolidin-3-ol (PubChem CID 79740627) has the molecular formula C13H18N2O and a molecular weight of 218.30 g/mol. Its IUPAC name is 3-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-1-methylpyrrolidin-3-ol.

Molecular Properties

Compound Name3-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-1-methylpyrrolidin-3-ol
PubChem CID79740627
Molecular FormulaC13H18N2O
Molecular Weight218.30 g/mol
Exact Mass218.14
IUPAC Name3-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-1-methylpyrrolidin-3-ol
SMILESCN1CCC(O)(C2CCc3cccnc32)C1
InChIInChI=1S/C13H18N2O/c1-15-8-6-13(16,9-15)11-5-4-10-3-2-7-14-12(10)11/h2-3,7,11,16H,4-6,8-9H2,1H3
InChIKeyIQDBKBFZSDRGSR-UHFFFAOYSA-N
XLogP1.18
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-1-methylpyrrolidin-3-ol 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 3-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-1-methylpyrrolidin-3-ol?
The IUPAC name of 3-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-1-methylpyrrolidin-3-ol (CID 79740627) is 3-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-1-methylpyrrolidin-3-ol.
What is the SMILES notation for 3-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-1-methylpyrrolidin-3-ol?
The canonical SMILES for 3-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-1-methylpyrrolidin-3-ol is CN1CCC(O)(C2CCc3cccnc32)C1.
What is the InChIKey of 3-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-1-methylpyrrolidin-3-ol?
The InChIKey is IQDBKBFZSDRGSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O/c1-15-8-6-13(16,9-15)11-5-4-10-3-2-7-14-12(10)11/h2-3,7,11,16H,4-6,8-9H2,1H3.
What are the key properties of 3-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-1-methylpyrrolidin-3-ol?
3-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-1-methylpyrrolidin-3-ol has a molecular weight of 218.30 g/mol, XLogP of 1.18, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-1-methylpyrrolidin-3-ol is sourced from PubChem (CID 79740627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).