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

C9H17N — CID 55286323

IUPAC4-methyl-2,3,4,4a,5,6,7,7a-octahydro-1H-cyclopenta[b]pyridine
SMILESCC1CCNC2CCCC12
InChIInChI=1S/C9H17N/c1-7-5-6-10-9-4-2-3-8(7)9/h7-10H,2-6H2,1H3
InChIKeyXZXQQOAMDLPZNU-UHFFFAOYSA-N
MW139.24 g/mol
LogP1.78
Rot. Bonds

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

4-methyl-2,3,4,4a,5,6,7,7a-octahydro-1H-cyclopenta[b]pyridine (PubChem CID 55286323) has the molecular formula C9H17N and a molecular weight of 139.24 g/mol. Its IUPAC name is 4-methyl-2,3,4,4a,5,6,7,7a-octahydro-1H-cyclopenta[b]pyridine.

Molecular Properties

Compound Name4-methyl-2,3,4,4a,5,6,7,7a-octahydro-1H-cyclopenta[b]pyridine
PubChem CID55286323
Molecular FormulaC9H17N
Molecular Weight139.24 g/mol
Exact Mass139.14
IUPAC Name4-methyl-2,3,4,4a,5,6,7,7a-octahydro-1H-cyclopenta[b]pyridine
SMILESCC1CCNC2CCCC12
InChIInChI=1S/C9H17N/c1-7-5-6-10-9-4-2-3-8(7)9/h7-10H,2-6H2,1H3
InChIKeyXZXQQOAMDLPZNU-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 4-methyl-2,3,4,4a,5,6,7,7a-octahydro-1H-cyclopenta[b]pyridine?
The IUPAC name of 4-methyl-2,3,4,4a,5,6,7,7a-octahydro-1H-cyclopenta[b]pyridine (CID 55286323) is 4-methyl-2,3,4,4a,5,6,7,7a-octahydro-1H-cyclopenta[b]pyridine.
What is the SMILES notation for 4-methyl-2,3,4,4a,5,6,7,7a-octahydro-1H-cyclopenta[b]pyridine?
The canonical SMILES for 4-methyl-2,3,4,4a,5,6,7,7a-octahydro-1H-cyclopenta[b]pyridine is CC1CCNC2CCCC12.
What is the InChIKey of 4-methyl-2,3,4,4a,5,6,7,7a-octahydro-1H-cyclopenta[b]pyridine?
The InChIKey is XZXQQOAMDLPZNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N/c1-7-5-6-10-9-4-2-3-8(7)9/h7-10H,2-6H2,1H3.
What are the key properties of 4-methyl-2,3,4,4a,5,6,7,7a-octahydro-1H-cyclopenta[b]pyridine?
4-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 4-methyl-2,3,4,4a,5,6,7,7a-octahydro-1H-cyclopenta[b]pyridine is sourced from PubChem (CID 55286323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).