6,7-dihydro-5H-cyclopenta[b]pyridin-3-ylmethylazanium

C9H13N2+ — CID 7013238

IUPAC6,7-dihydro-5H-cyclopenta[b]pyridin-3-ylmethylazanium
SMILES[NH3+]Cc1cnc2c(c1)CCC2
InChIInChI=1S/C9H12N2/c10-5-7-4-8-2-1-3-9(8)11-6-7/h4,6H,1-3,5,10H2/p+1
InChIKeyDYDVLUHYJPUDJX-UHFFFAOYSA-O
MW149.22 g/mol
LogP0.31
Rot. Bonds1

About 6,7-dihydro-5H-cyclopenta[b]pyridin-3-ylmethylazanium

6,7-dihydro-5H-cyclopenta[b]pyridin-3-ylmethylazanium (PubChem CID 7013238) has the molecular formula C9H13N2+ and a molecular weight of 149.22 g/mol. Its IUPAC name is 6,7-dihydro-5H-cyclopenta[b]pyridin-3-ylmethylazanium.

Molecular Properties

Compound Name6,7-dihydro-5H-cyclopenta[b]pyridin-3-ylmethylazanium
PubChem CID7013238
Molecular FormulaC9H13N2+
Molecular Weight149.22 g/mol
Exact Mass149.11
IUPAC Name6,7-dihydro-5H-cyclopenta[b]pyridin-3-ylmethylazanium
SMILES[NH3+]Cc1cnc2c(c1)CCC2
InChIInChI=1S/C9H12N2/c10-5-7-4-8-2-1-3-9(8)11-6-7/h4,6H,1-3,5,10H2/p+1
InChIKeyDYDVLUHYJPUDJX-UHFFFAOYSA-O
XLogP0.31
TPSA40.53 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.22
LogP ≤ 50.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6,7-dihydro-5H-cyclopenta[b]pyridin-3-ylmethylazanium?
The IUPAC name of 6,7-dihydro-5H-cyclopenta[b]pyridin-3-ylmethylazanium (CID 7013238) is 6,7-dihydro-5H-cyclopenta[b]pyridin-3-ylmethylazanium.
What is the SMILES notation for 6,7-dihydro-5H-cyclopenta[b]pyridin-3-ylmethylazanium?
The canonical SMILES for 6,7-dihydro-5H-cyclopenta[b]pyridin-3-ylmethylazanium is [NH3+]Cc1cnc2c(c1)CCC2.
What is the InChIKey of 6,7-dihydro-5H-cyclopenta[b]pyridin-3-ylmethylazanium?
The InChIKey is DYDVLUHYJPUDJX-UHFFFAOYSA-O. The full InChI is InChI=1S/C9H12N2/c10-5-7-4-8-2-1-3-9(8)11-6-7/h4,6H,1-3,5,10H2/p+1.
What are the key properties of 6,7-dihydro-5H-cyclopenta[b]pyridin-3-ylmethylazanium?
6,7-dihydro-5H-cyclopenta[b]pyridin-3-ylmethylazanium has a molecular weight of 149.22 g/mol, XLogP of 0.31, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dihydro-5H-cyclopenta[b]pyridin-3-ylmethylazanium is sourced from PubChem (CID 7013238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).