(4aS)-4a-methyl-1,2,3,4,5,6,7,7a-octahydrocyclopenta[b]pyridine

C9H17N — CID 176835290

IUPAC(4aS)-4a-methyl-1,2,3,4,5,6,7,7a-octahydrocyclopenta[b]pyridine
SMILESC[C@]12CCCNC1CCC2
InChIInChI=1S/C9H17N/c1-9-5-2-4-8(9)10-7-3-6-9/h8,10H,2-7H2,1H3/t8?,9-/m0/s1
InChIKeyXCKGAZROFBPRGX-GKAPJAKFSA-N
MW139.24 g/mol
LogP1.93
Rot. Bonds

About (4aS)-4a-methyl-1,2,3,4,5,6,7,7a-octahydrocyclopenta[b]pyridine

(4aS)-4a-methyl-1,2,3,4,5,6,7,7a-octahydrocyclopenta[b]pyridine (PubChem CID 176835290) has the molecular formula C9H17N and a molecular weight of 139.24 g/mol. Its IUPAC name is (4aS)-4a-methyl-1,2,3,4,5,6,7,7a-octahydrocyclopenta[b]pyridine.

Molecular Properties

Compound Name(4aS)-4a-methyl-1,2,3,4,5,6,7,7a-octahydrocyclopenta[b]pyridine
PubChem CID176835290
Molecular FormulaC9H17N
Molecular Weight139.24 g/mol
Exact Mass139.14
IUPAC Name(4aS)-4a-methyl-1,2,3,4,5,6,7,7a-octahydrocyclopenta[b]pyridine
SMILESC[C@]12CCCNC1CCC2
InChIInChI=1S/C9H17N/c1-9-5-2-4-8(9)10-7-3-6-9/h8,10H,2-7H2,1H3/t8?,9-/m0/s1
InChIKeyXCKGAZROFBPRGX-GKAPJAKFSA-N
XLogP1.93
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.24
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (4aS)-4a-methyl-1,2,3,4,5,6,7,7a-octahydrocyclopenta[b]pyridine?
The IUPAC name of (4aS)-4a-methyl-1,2,3,4,5,6,7,7a-octahydrocyclopenta[b]pyridine (CID 176835290) is (4aS)-4a-methyl-1,2,3,4,5,6,7,7a-octahydrocyclopenta[b]pyridine.
What is the SMILES notation for (4aS)-4a-methyl-1,2,3,4,5,6,7,7a-octahydrocyclopenta[b]pyridine?
The canonical SMILES for (4aS)-4a-methyl-1,2,3,4,5,6,7,7a-octahydrocyclopenta[b]pyridine is C[C@]12CCCNC1CCC2.
What is the InChIKey of (4aS)-4a-methyl-1,2,3,4,5,6,7,7a-octahydrocyclopenta[b]pyridine?
The InChIKey is XCKGAZROFBPRGX-GKAPJAKFSA-N. The full InChI is InChI=1S/C9H17N/c1-9-5-2-4-8(9)10-7-3-6-9/h8,10H,2-7H2,1H3/t8?,9-/m0/s1.
What are the key properties of (4aS)-4a-methyl-1,2,3,4,5,6,7,7a-octahydrocyclopenta[b]pyridine?
(4aS)-4a-methyl-1,2,3,4,5,6,7,7a-octahydrocyclopenta[b]pyridine has a molecular weight of 139.24 g/mol, XLogP of 1.93, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4aS)-4a-methyl-1,2,3,4,5,6,7,7a-octahydrocyclopenta[b]pyridine is sourced from PubChem (CID 176835290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).