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

C9H17N — CID 55288341

IUPAC3-methyl-2,3,4,4a,5,6,7,7a-octahydro-1H-cyclopenta[b]pyridine
SMILESCC1CNC2CCCC2C1
InChIInChI=1S/C9H17N/c1-7-5-8-3-2-4-9(8)10-6-7/h7-10H,2-6H2,1H3
InChIKeyCQUKYKQJRYFAJB-UHFFFAOYSA-N
MW139.24 g/mol
LogP1.78
Rot. Bonds

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

3-methyl-2,3,4,4a,5,6,7,7a-octahydro-1H-cyclopenta[b]pyridine (PubChem CID 55288341) has the molecular formula C9H17N and a molecular weight of 139.24 g/mol. Its IUPAC name is 3-methyl-2,3,4,4a,5,6,7,7a-octahydro-1H-cyclopenta[b]pyridine.

Molecular Properties

Compound Name3-methyl-2,3,4,4a,5,6,7,7a-octahydro-1H-cyclopenta[b]pyridine
PubChem CID55288341
Molecular FormulaC9H17N
Molecular Weight139.24 g/mol
Exact Mass139.14
IUPAC Name3-methyl-2,3,4,4a,5,6,7,7a-octahydro-1H-cyclopenta[b]pyridine
SMILESCC1CNC2CCCC2C1
InChIInChI=1S/C9H17N/c1-7-5-8-3-2-4-9(8)10-6-7/h7-10H,2-6H2,1H3
InChIKeyCQUKYKQJRYFAJB-UHFFFAOYSA-N
XLogP1.78
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 ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-2,3,4,4a,5,6,7,7a-octahydro-1H-cyclopenta[b]pyridine?
The IUPAC name of 3-methyl-2,3,4,4a,5,6,7,7a-octahydro-1H-cyclopenta[b]pyridine (CID 55288341) is 3-methyl-2,3,4,4a,5,6,7,7a-octahydro-1H-cyclopenta[b]pyridine.
What is the SMILES notation for 3-methyl-2,3,4,4a,5,6,7,7a-octahydro-1H-cyclopenta[b]pyridine?
The canonical SMILES for 3-methyl-2,3,4,4a,5,6,7,7a-octahydro-1H-cyclopenta[b]pyridine is CC1CNC2CCCC2C1.
What is the InChIKey of 3-methyl-2,3,4,4a,5,6,7,7a-octahydro-1H-cyclopenta[b]pyridine?
The InChIKey is CQUKYKQJRYFAJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N/c1-7-5-8-3-2-4-9(8)10-6-7/h7-10H,2-6H2,1H3.
What are the key properties of 3-methyl-2,3,4,4a,5,6,7,7a-octahydro-1H-cyclopenta[b]pyridine?
3-methyl-2,3,4,4a,5,6,7,7a-octahydro-1H-cyclopenta[b]pyridine has a molecular weight of 139.24 g/mol, XLogP of 1.78, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2,3,4,4a,5,6,7,7a-octahydro-1H-cyclopenta[b]pyridine is sourced from PubChem (CID 55288341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).