2,3,4,4a,5,6,7,7a-octahydro-1H-cyclopenta[c]pyridine

C8H15N — CID 14431671

IUPAC2,3,4,4a,5,6,7,7a-octahydro-1H-cyclopenta[c]pyridine
SMILESC1CC2CCNCC2C1
InChIInChI=1S/C8H15N/c1-2-7-4-5-9-6-8(7)3-1/h7-9H,1-6H2
InChIKeyKPXSPHQLZBMRLW-UHFFFAOYSA-N
MW125.22 g/mol
LogP1.40
Rot. Bonds

About 2,3,4,4a,5,6,7,7a-octahydro-1H-cyclopenta[c]pyridine

2,3,4,4a,5,6,7,7a-octahydro-1H-cyclopenta[c]pyridine (PubChem CID 14431671) has the molecular formula C8H15N and a molecular weight of 125.22 g/mol. Its IUPAC name is 2,3,4,4a,5,6,7,7a-octahydro-1H-cyclopenta[c]pyridine.

Molecular Properties

Compound Name2,3,4,4a,5,6,7,7a-octahydro-1H-cyclopenta[c]pyridine
PubChem CID14431671
Molecular FormulaC8H15N
Molecular Weight125.22 g/mol
Exact Mass125.12
IUPAC Name2,3,4,4a,5,6,7,7a-octahydro-1H-cyclopenta[c]pyridine
SMILESC1CC2CCNCC2C1
InChIInChI=1S/C8H15N/c1-2-7-4-5-9-6-8(7)3-1/h7-9H,1-6H2
InChIKeyKPXSPHQLZBMRLW-UHFFFAOYSA-N
XLogP1.40
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.22
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,3,4,4a,5,6,7,7a-octahydro-1H-cyclopenta[c]pyridine?
The IUPAC name of 2,3,4,4a,5,6,7,7a-octahydro-1H-cyclopenta[c]pyridine (CID 14431671) is 2,3,4,4a,5,6,7,7a-octahydro-1H-cyclopenta[c]pyridine.
What is the SMILES notation for 2,3,4,4a,5,6,7,7a-octahydro-1H-cyclopenta[c]pyridine?
The canonical SMILES for 2,3,4,4a,5,6,7,7a-octahydro-1H-cyclopenta[c]pyridine is C1CC2CCNCC2C1.
What is the InChIKey of 2,3,4,4a,5,6,7,7a-octahydro-1H-cyclopenta[c]pyridine?
The InChIKey is KPXSPHQLZBMRLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N/c1-2-7-4-5-9-6-8(7)3-1/h7-9H,1-6H2.
What are the key properties of 2,3,4,4a,5,6,7,7a-octahydro-1H-cyclopenta[c]pyridine?
2,3,4,4a,5,6,7,7a-octahydro-1H-cyclopenta[c]pyridine has a molecular weight of 125.22 g/mol, XLogP of 1.40, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4,4a,5,6,7,7a-octahydro-1H-cyclopenta[c]pyridine is sourced from PubChem (CID 14431671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).