2,3,4,4a,7,7a-hexahydro-1H-cyclopenta[c]pyridine

C8H13N — CID 67757833

IUPAC2,3,4,4a,7,7a-hexahydro-1H-cyclopenta[c]pyridine
SMILESC1=CC2CCNCC2C1
InChIInChI=1S/C8H13N/c1-2-7-4-5-9-6-8(7)3-1/h1-2,7-9H,3-6H2
InChIKeyKMFAGSVZTPSWSZ-UHFFFAOYSA-N
MW123.20 g/mol
LogP1.17
Rot. Bonds

About 2,3,4,4a,7,7a-hexahydro-1H-cyclopenta[c]pyridine

2,3,4,4a,7,7a-hexahydro-1H-cyclopenta[c]pyridine (PubChem CID 67757833) has the molecular formula C8H13N and a molecular weight of 123.20 g/mol. Its IUPAC name is 2,3,4,4a,7,7a-hexahydro-1H-cyclopenta[c]pyridine.

Molecular Properties

Compound Name2,3,4,4a,7,7a-hexahydro-1H-cyclopenta[c]pyridine
PubChem CID67757833
Molecular FormulaC8H13N
Molecular Weight123.20 g/mol
Exact Mass123.10
IUPAC Name2,3,4,4a,7,7a-hexahydro-1H-cyclopenta[c]pyridine
SMILESC1=CC2CCNCC2C1
InChIInChI=1S/C8H13N/c1-2-7-4-5-9-6-8(7)3-1/h1-2,7-9H,3-6H2
InChIKeyKMFAGSVZTPSWSZ-UHFFFAOYSA-N
XLogP1.17
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500123.20
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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 2,3,4,4a,7,7a-hexahydro-1H-cyclopenta[c]pyridine?
The IUPAC name of 2,3,4,4a,7,7a-hexahydro-1H-cyclopenta[c]pyridine (CID 67757833) is 2,3,4,4a,7,7a-hexahydro-1H-cyclopenta[c]pyridine.
What is the SMILES notation for 2,3,4,4a,7,7a-hexahydro-1H-cyclopenta[c]pyridine?
The canonical SMILES for 2,3,4,4a,7,7a-hexahydro-1H-cyclopenta[c]pyridine is C1=CC2CCNCC2C1.
What is the InChIKey of 2,3,4,4a,7,7a-hexahydro-1H-cyclopenta[c]pyridine?
The InChIKey is KMFAGSVZTPSWSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N/c1-2-7-4-5-9-6-8(7)3-1/h1-2,7-9H,3-6H2.
What are the key properties of 2,3,4,4a,7,7a-hexahydro-1H-cyclopenta[c]pyridine?
2,3,4,4a,7,7a-hexahydro-1H-cyclopenta[c]pyridine has a molecular weight of 123.20 g/mol, XLogP of 1.17, 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,7,7a-hexahydro-1H-cyclopenta[c]pyridine is sourced from PubChem (CID 67757833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).