2-methyl-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[b]pyrrole

C8H15N — CID 3057779

IUPAC2-methyl-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[b]pyrrole
SMILESCC1CC2CCCC2N1
InChIInChI=1S/C8H15N/c1-6-5-7-3-2-4-8(7)9-6/h6-9H,2-5H2,1H3
InChIKeyPCLLYADXFXPXMU-UHFFFAOYSA-N
MW125.22 g/mol
LogP1.54
Rot. Bonds

About 2-methyl-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[b]pyrrole

2-methyl-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[b]pyrrole (PubChem CID 3057779) has the molecular formula C8H15N and a molecular weight of 125.22 g/mol. Its IUPAC name is 2-methyl-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[b]pyrrole.

Molecular Properties

Compound Name2-methyl-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[b]pyrrole
PubChem CID3057779
Molecular FormulaC8H15N
Molecular Weight125.22 g/mol
Exact Mass125.12
IUPAC Name2-methyl-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[b]pyrrole
SMILESCC1CC2CCCC2N1
InChIInChI=1S/C8H15N/c1-6-5-7-3-2-4-8(7)9-6/h6-9H,2-5H2,1H3
InChIKeyPCLLYADXFXPXMU-UHFFFAOYSA-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 2-methyl-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[b]pyrrole?
The IUPAC name of 2-methyl-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[b]pyrrole (CID 3057779) is 2-methyl-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[b]pyrrole.
What is the SMILES notation for 2-methyl-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[b]pyrrole?
The canonical SMILES for 2-methyl-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[b]pyrrole is CC1CC2CCCC2N1.
What is the InChIKey of 2-methyl-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[b]pyrrole?
The InChIKey is PCLLYADXFXPXMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N/c1-6-5-7-3-2-4-8(7)9-6/h6-9H,2-5H2,1H3.
What are the key properties of 2-methyl-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[b]pyrrole?
2-methyl-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[b]pyrrole 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 2-methyl-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[b]pyrrole is sourced from PubChem (CID 3057779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).