5,7a-dihydro-4aH-cyclopenta[b]pyridin-1-ium

C8H10N+ — CID 139243807

IUPAC5,7a-dihydro-4aH-cyclopenta[b]pyridin-1-ium
SMILESC1=CC2CC=CC2[NH+]=C1
InChIInChI=1S/C8H9N/c1-3-7-4-2-6-9-8(7)5-1/h1-2,4-8H,3H2/p+1
InChIKeyCONIAOMLNCKCCR-UHFFFAOYSA-O
MW120.17 g/mol
LogP-0.35
Rot. Bonds

About 5,7a-dihydro-4aH-cyclopenta[b]pyridin-1-ium

5,7a-dihydro-4aH-cyclopenta[b]pyridin-1-ium (PubChem CID 139243807) has the molecular formula C8H10N+ and a molecular weight of 120.17 g/mol. Its IUPAC name is 5,7a-dihydro-4aH-cyclopenta[b]pyridin-1-ium.

Molecular Properties

Compound Name5,7a-dihydro-4aH-cyclopenta[b]pyridin-1-ium
PubChem CID139243807
Molecular FormulaC8H10N+
Molecular Weight120.17 g/mol
Exact Mass120.08
IUPAC Name5,7a-dihydro-4aH-cyclopenta[b]pyridin-1-ium
SMILESC1=CC2CC=CC2[NH+]=C1
InChIInChI=1S/C8H9N/c1-3-7-4-2-6-9-8(7)5-1/h1-2,4-8H,3H2/p+1
InChIKeyCONIAOMLNCKCCR-UHFFFAOYSA-O
XLogP-0.35
TPSA13.97 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500120.17
LogP ≤ 5-0.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5,7a-dihydro-4aH-cyclopenta[b]pyridin-1-ium?
The IUPAC name of 5,7a-dihydro-4aH-cyclopenta[b]pyridin-1-ium (CID 139243807) is 5,7a-dihydro-4aH-cyclopenta[b]pyridin-1-ium.
What is the SMILES notation for 5,7a-dihydro-4aH-cyclopenta[b]pyridin-1-ium?
The canonical SMILES for 5,7a-dihydro-4aH-cyclopenta[b]pyridin-1-ium is C1=CC2CC=CC2[NH+]=C1.
What is the InChIKey of 5,7a-dihydro-4aH-cyclopenta[b]pyridin-1-ium?
The InChIKey is CONIAOMLNCKCCR-UHFFFAOYSA-O. The full InChI is InChI=1S/C8H9N/c1-3-7-4-2-6-9-8(7)5-1/h1-2,4-8H,3H2/p+1.
What are the key properties of 5,7a-dihydro-4aH-cyclopenta[b]pyridin-1-ium?
5,7a-dihydro-4aH-cyclopenta[b]pyridin-1-ium has a molecular weight of 120.17 g/mol, XLogP of -0.35, 0 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7a-dihydro-4aH-cyclopenta[b]pyridin-1-ium is sourced from PubChem (CID 139243807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).