4-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-2,3-dihydroinden-1-one

C17H15NO — CID 114080982

IUPAC4-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-2,3-dihydroinden-1-one
SMILESO=C1CCc2c1cccc2C1CCc2cccnc21
InChIInChI=1S/C17H15NO/c19-16-9-8-13-12(4-1-5-14(13)16)15-7-6-11-3-2-10-18-17(11)15/h1-5,10,15H,6-9H2
InChIKeyWFTSMJVCNBOSTG-UHFFFAOYSA-N
MW249.31 g/mol
LogP3.29
Rot. Bonds1

About 4-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-2,3-dihydroinden-1-one

4-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-2,3-dihydroinden-1-one (PubChem CID 114080982) has the molecular formula C17H15NO and a molecular weight of 249.31 g/mol. Its IUPAC name is 4-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-2,3-dihydroinden-1-one.

Molecular Properties

Compound Name4-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-2,3-dihydroinden-1-one
PubChem CID114080982
Molecular FormulaC17H15NO
Molecular Weight249.31 g/mol
Exact Mass249.12
IUPAC Name4-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-2,3-dihydroinden-1-one
SMILESO=C1CCc2c1cccc2C1CCc2cccnc21
InChIInChI=1S/C17H15NO/c19-16-9-8-13-12(4-1-5-14(13)16)15-7-6-11-3-2-10-18-17(11)15/h1-5,10,15H,6-9H2
InChIKeyWFTSMJVCNBOSTG-UHFFFAOYSA-N
XLogP3.29
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-2,3-dihydroinden-1-one 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 4-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-2,3-dihydroinden-1-one?
The IUPAC name of 4-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-2,3-dihydroinden-1-one (CID 114080982) is 4-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-2,3-dihydroinden-1-one.
What is the SMILES notation for 4-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-2,3-dihydroinden-1-one?
The canonical SMILES for 4-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-2,3-dihydroinden-1-one is O=C1CCc2c1cccc2C1CCc2cccnc21.
What is the InChIKey of 4-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-2,3-dihydroinden-1-one?
The InChIKey is WFTSMJVCNBOSTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO/c19-16-9-8-13-12(4-1-5-14(13)16)15-7-6-11-3-2-10-18-17(11)15/h1-5,10,15H,6-9H2.
What are the key properties of 4-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-2,3-dihydroinden-1-one?
4-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-2,3-dihydroinden-1-one has a molecular weight of 249.31 g/mol, XLogP of 3.29, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-2,3-dihydroinden-1-one is sourced from PubChem (CID 114080982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).