3,4,4a,5-tetrahydro-2H-cyclopenta[b]pyridine

C8H11N — CID 164669517

IUPAC3,4,4a,5-tetrahydro-2H-cyclopenta[b]pyridine
SMILESC1=CC2=NCCCC2C1
InChIInChI=1S/C8H11N/c1-3-7-4-2-6-9-8(7)5-1/h1,5,7H,2-4,6H2
InChIKeyINGDHMIKMKWSSW-UHFFFAOYSA-N
MW121.18 g/mol
LogP1.80
Rot. Bonds

About 3,4,4a,5-tetrahydro-2H-cyclopenta[b]pyridine

3,4,4a,5-tetrahydro-2H-cyclopenta[b]pyridine (PubChem CID 164669517) has the molecular formula C8H11N and a molecular weight of 121.18 g/mol. Its IUPAC name is 3,4,4a,5-tetrahydro-2H-cyclopenta[b]pyridine.

Molecular Properties

Compound Name3,4,4a,5-tetrahydro-2H-cyclopenta[b]pyridine
PubChem CID164669517
Molecular FormulaC8H11N
Molecular Weight121.18 g/mol
Exact Mass121.09
IUPAC Name3,4,4a,5-tetrahydro-2H-cyclopenta[b]pyridine
SMILESC1=CC2=NCCCC2C1
InChIInChI=1S/C8H11N/c1-3-7-4-2-6-9-8(7)5-1/h1,5,7H,2-4,6H2
InChIKeyINGDHMIKMKWSSW-UHFFFAOYSA-N
XLogP1.80
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 ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

CID 101409054
CID 101409054
3-methyl-5-penta-1,3-dienyl-3,4-dihydro-2H-pyrrole
CID 162856209
2,3,4,4a,5,6-Hexahydroquinoline
CID 11062444
Fluorotetrahydrocyclopenta[c]quinoline
CID 129814042
Tetrahydro 3h cyclopenta[c]quinoline
CID 66841971
6-fluoro-3,3a,4,5-tetrahydro-2H-indole
CID 123727030
(4Z,9Z)-2-methyl-3,3a,6,7,8,10a-hexahydrocyclonona[b]pyrrole
CID 11298264
(3aR,4Z,9Z,10aS)-2-methyl-3,3a,6,7,8,10a-hexahydrocyclonona[b]pyrrole
CID 102274163
3a,7,8,8a,9,9a-hexahydro-3H-cyclopenta[b]quinoline
CID 123552988
Cyclohexyl 2h benzimidazole
CID 129815849
3-methyl-5-[(1E,3E)-penta-1,3-dienyl]-3,4-dihydro-2H-pyrrole
CID 162856210
2,3,4,4a-Tetrahydroquinoline
CID 20394214

Frequently Asked Questions

What is the IUPAC name of 3,4,4a,5-tetrahydro-2H-cyclopenta[b]pyridine?
The IUPAC name of 3,4,4a,5-tetrahydro-2H-cyclopenta[b]pyridine (CID 164669517) is 3,4,4a,5-tetrahydro-2H-cyclopenta[b]pyridine.
What is the SMILES notation for 3,4,4a,5-tetrahydro-2H-cyclopenta[b]pyridine?
The canonical SMILES for 3,4,4a,5-tetrahydro-2H-cyclopenta[b]pyridine is C1=CC2=NCCCC2C1.
What is the InChIKey of 3,4,4a,5-tetrahydro-2H-cyclopenta[b]pyridine?
The InChIKey is INGDHMIKMKWSSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N/c1-3-7-4-2-6-9-8(7)5-1/h1,5,7H,2-4,6H2.
What are the key properties of 3,4,4a,5-tetrahydro-2H-cyclopenta[b]pyridine?
3,4,4a,5-tetrahydro-2H-cyclopenta[b]pyridine has a molecular weight of 121.18 g/mol, XLogP of 1.80, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,4a,5-tetrahydro-2H-cyclopenta[b]pyridine is sourced from PubChem (CID 164669517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).