4,4a,7,7a-tetrahydro-1H-cyclopenta[c]pyridine

C8H11N — CID 91560157

IUPAC4,4a,7,7a-tetrahydro-1H-cyclopenta[c]pyridine
SMILESC1=CC2CC=NCC2C1
InChIInChI=1S/C8H11N/c1-2-7-4-5-9-6-8(7)3-1/h1-2,5,7-8H,3-4,6H2
InChIKeyOLASJPARKUDBHB-UHFFFAOYSA-N
MW121.18 g/mol
LogP1.65
Rot. Bonds

About 4,4a,7,7a-tetrahydro-1H-cyclopenta[c]pyridine

4,4a,7,7a-tetrahydro-1H-cyclopenta[c]pyridine (PubChem CID 91560157) has the molecular formula C8H11N and a molecular weight of 121.18 g/mol. Its IUPAC name is 4,4a,7,7a-tetrahydro-1H-cyclopenta[c]pyridine.

Molecular Properties

Compound Name4,4a,7,7a-tetrahydro-1H-cyclopenta[c]pyridine
PubChem CID91560157
Molecular FormulaC8H11N
Molecular Weight121.18 g/mol
Exact Mass121.09
IUPAC Name4,4a,7,7a-tetrahydro-1H-cyclopenta[c]pyridine
SMILESC1=CC2CC=NCC2C1
InChIInChI=1S/C8H11N/c1-2-7-4-5-9-6-8(7)3-1/h1-2,5,7-8H,3-4,6H2
InChIKeyOLASJPARKUDBHB-UHFFFAOYSA-N
XLogP1.65
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500121.18
LogP ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-Azabicyclo[3.2.1]octa-2,6-diene
CID 12471325
(1R,2S,6R,7S)-4-azatricyclo[5.2.1.02,6]deca-3,8-diene
CID 46910419
3,4,4a,5,8,8a-Hexahydroisoquinoline
CID 123941003
3-ethyl-5-fluoro-3a,7a-dihydro-3H-indole
CID 91299299
3-Aza-bicyclo[3.2.1]octa-3,6-diene
CID 86038673
2,2',3,3',4',5'-Hexa-hydro-3,4'-bipyridine
CID 129759174
3,4,4a,5-tetrahydro-2H-cyclopenta[b]pyridine
CID 164669517
4-Azatricyclo[5.3.2.02,6]dodeca-3,11-diene
CID 23045649
5,6,7,7a-tetrahydro-4aH-cyclopenta[b]pyridine
CID 49760373
3,3a,4,5-tetrahydro-2H-indole
CID 53636670
5,6,7,7a-tetrahydro-1H-isoindole
CID 53791560
2-Cyclopentyl-2,5-dihydropyridine
CID 53805936

Frequently Asked Questions

What is the IUPAC name of 4,4a,7,7a-tetrahydro-1H-cyclopenta[c]pyridine?
The IUPAC name of 4,4a,7,7a-tetrahydro-1H-cyclopenta[c]pyridine (CID 91560157) is 4,4a,7,7a-tetrahydro-1H-cyclopenta[c]pyridine.
What is the SMILES notation for 4,4a,7,7a-tetrahydro-1H-cyclopenta[c]pyridine?
The canonical SMILES for 4,4a,7,7a-tetrahydro-1H-cyclopenta[c]pyridine is C1=CC2CC=NCC2C1.
What is the InChIKey of 4,4a,7,7a-tetrahydro-1H-cyclopenta[c]pyridine?
The InChIKey is OLASJPARKUDBHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N/c1-2-7-4-5-9-6-8(7)3-1/h1-2,5,7-8H,3-4,6H2.
What are the key properties of 4,4a,7,7a-tetrahydro-1H-cyclopenta[c]pyridine?
4,4a,7,7a-tetrahydro-1H-cyclopenta[c]pyridine has a molecular weight of 121.18 g/mol, XLogP of 1.65, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4a,7,7a-tetrahydro-1H-cyclopenta[c]pyridine is sourced from PubChem (CID 91560157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).