4,5,6,7-tetrahydro-3H-cyclopenta[c]pyridine

C8H11N — CID 135171449

IUPAC4,5,6,7-tetrahydro-3H-cyclopenta[c]pyridine
SMILESC1=NCCC2=C1CCC2
InChIInChI=1S/C8H11N/c1-2-7-4-5-9-6-8(7)3-1/h6H,1-5H2
InChIKeyXZKYJIWEGSRRPV-UHFFFAOYSA-N
MW121.18 g/mol
LogP1.94
Rot. Bonds

About 4,5,6,7-tetrahydro-3H-cyclopenta[c]pyridine

4,5,6,7-tetrahydro-3H-cyclopenta[c]pyridine (PubChem CID 135171449) has the molecular formula C8H11N and a molecular weight of 121.18 g/mol. Its IUPAC name is 4,5,6,7-tetrahydro-3H-cyclopenta[c]pyridine.

Molecular Properties

Compound Name4,5,6,7-tetrahydro-3H-cyclopenta[c]pyridine
PubChem CID135171449
Molecular FormulaC8H11N
Molecular Weight121.18 g/mol
Exact Mass121.09
IUPAC Name4,5,6,7-tetrahydro-3H-cyclopenta[c]pyridine
SMILESC1=NCCC2=C1CCC2
InChIInChI=1S/C8H11N/c1-2-7-4-5-9-6-8(7)3-1/h6H,1-5H2
InChIKeyXZKYJIWEGSRRPV-UHFFFAOYSA-N
XLogP1.94
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 ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4,5,6,7-tetrahydro-3H-cyclopenta[c]pyridine?
The IUPAC name of 4,5,6,7-tetrahydro-3H-cyclopenta[c]pyridine (CID 135171449) is 4,5,6,7-tetrahydro-3H-cyclopenta[c]pyridine.
What is the SMILES notation for 4,5,6,7-tetrahydro-3H-cyclopenta[c]pyridine?
The canonical SMILES for 4,5,6,7-tetrahydro-3H-cyclopenta[c]pyridine is C1=NCCC2=C1CCC2.
What is the InChIKey of 4,5,6,7-tetrahydro-3H-cyclopenta[c]pyridine?
The InChIKey is XZKYJIWEGSRRPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N/c1-2-7-4-5-9-6-8(7)3-1/h6H,1-5H2.
What are the key properties of 4,5,6,7-tetrahydro-3H-cyclopenta[c]pyridine?
4,5,6,7-tetrahydro-3H-cyclopenta[c]pyridine has a molecular weight of 121.18 g/mol, XLogP of 1.94, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5,6,7-tetrahydro-3H-cyclopenta[c]pyridine is sourced from PubChem (CID 135171449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).