(4aR,7aS)-2,3,4,4a,5,6,7,7a-octahydro-1H-cyclopenta[b]pyridine

C8H15N — CID 1380802

IUPAC(4aR,7aS)-2,3,4,4a,5,6,7,7a-octahydro-1H-cyclopenta[b]pyridine
SMILESC1CN[C@H]2CCC[C@@H]2C1
InChIInChI=1S/C8H15N/c1-3-7-4-2-6-9-8(7)5-1/h7-9H,1-6H2/t7-,8+/m1/s1
InChIKeyCJNWCWVQGCSQRA-SFYZADRCSA-N
MW125.22 g/mol
LogP1.54
Rot. Bonds

About (4aR,7aS)-2,3,4,4a,5,6,7,7a-octahydro-1H-cyclopenta[b]pyridine

(4aR,7aS)-2,3,4,4a,5,6,7,7a-octahydro-1H-cyclopenta[b]pyridine (PubChem CID 1380802) has the molecular formula C8H15N and a molecular weight of 125.22 g/mol. Its IUPAC name is (4aR,7aS)-2,3,4,4a,5,6,7,7a-octahydro-1H-cyclopenta[b]pyridine.

Molecular Properties

Compound Name(4aR,7aS)-2,3,4,4a,5,6,7,7a-octahydro-1H-cyclopenta[b]pyridine
PubChem CID1380802
Molecular FormulaC8H15N
Molecular Weight125.22 g/mol
Exact Mass125.12
IUPAC Name(4aR,7aS)-2,3,4,4a,5,6,7,7a-octahydro-1H-cyclopenta[b]pyridine
SMILESC1CN[C@H]2CCC[C@@H]2C1
InChIInChI=1S/C8H15N/c1-3-7-4-2-6-9-8(7)5-1/h7-9H,1-6H2/t7-,8+/m1/s1
InChIKeyCJNWCWVQGCSQRA-SFYZADRCSA-N
XLogP1.54
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 ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (4aR,7aS)-2,3,4,4a,5,6,7,7a-octahydro-1H-cyclopenta[b]pyridine?
The IUPAC name of (4aR,7aS)-2,3,4,4a,5,6,7,7a-octahydro-1H-cyclopenta[b]pyridine (CID 1380802) is (4aR,7aS)-2,3,4,4a,5,6,7,7a-octahydro-1H-cyclopenta[b]pyridine.
What is the SMILES notation for (4aR,7aS)-2,3,4,4a,5,6,7,7a-octahydro-1H-cyclopenta[b]pyridine?
The canonical SMILES for (4aR,7aS)-2,3,4,4a,5,6,7,7a-octahydro-1H-cyclopenta[b]pyridine is C1CN[C@H]2CCC[C@@H]2C1.
What is the InChIKey of (4aR,7aS)-2,3,4,4a,5,6,7,7a-octahydro-1H-cyclopenta[b]pyridine?
The InChIKey is CJNWCWVQGCSQRA-SFYZADRCSA-N. The full InChI is InChI=1S/C8H15N/c1-3-7-4-2-6-9-8(7)5-1/h7-9H,1-6H2/t7-,8+/m1/s1.
What are the key properties of (4aR,7aS)-2,3,4,4a,5,6,7,7a-octahydro-1H-cyclopenta[b]pyridine?
(4aR,7aS)-2,3,4,4a,5,6,7,7a-octahydro-1H-cyclopenta[b]pyridine has a molecular weight of 125.22 g/mol, XLogP of 1.54, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4aR,7aS)-2,3,4,4a,5,6,7,7a-octahydro-1H-cyclopenta[b]pyridine is sourced from PubChem (CID 1380802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).