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

C8H15N — CID 83904798

IUPAC6-methyl-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[b]pyrrole
SMILESCC1CCC2CCNC12
InChIInChI=1S/C8H15N/c1-6-2-3-7-4-5-9-8(6)7/h6-9H,2-5H2,1H3
InChIKeyGTKDCUSPLDNHQD-UHFFFAOYSA-N
MW125.22 g/mol
LogP1.39
Rot. Bonds

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

6-methyl-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[b]pyrrole (PubChem CID 83904798) has the molecular formula C8H15N and a molecular weight of 125.22 g/mol. Its IUPAC name is 6-methyl-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[b]pyrrole.

Molecular Properties

Compound Name6-methyl-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[b]pyrrole
PubChem CID83904798
Molecular FormulaC8H15N
Molecular Weight125.22 g/mol
Exact Mass125.12
IUPAC Name6-methyl-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[b]pyrrole
SMILESCC1CCC2CCNC12
InChIInChI=1S/C8H15N/c1-6-2-3-7-4-5-9-8(6)7/h6-9H,2-5H2,1H3
InChIKeyGTKDCUSPLDNHQD-UHFFFAOYSA-N
XLogP1.39
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 ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(3aR,7R,7aS)-7-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indole
CID 124603442
2-cycloheptyl-3-methylpiperidine
CID 84720602
4-(3,4-dimethylcyclohexyl)-2-methylpiperidine
CID 106779525
6-methyl-2-azabicyclo[3.2.2]nonane
CID 163899527
4-cyclopropyl-2-methylpiperidine
CID 82594092
3-cyclopropyl-2-methyl-1,4-thiazepane
CID 66218764
2-[(3aS,6R,6aR)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[b]pyrrol-6-yl]ethynyl-tri(propan-2-yl)silane
CID 162412725
6-methyl-5-propan-2-yl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrole
CID 83846103
6,8-dimethyl-2,3,4,4a,5,7,8,8a-octahydro-1H-1,6-naphthyridine
CID 83905689
(6R)-3,6-dimethyl-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[b]pyrrole
CID 163817259
1,7-dimethyl-1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinoline
CID 140985387
3-methyl-2-piperidin-2-ylpiperidine
CID 121218618

Frequently Asked Questions

What is the IUPAC name of 6-methyl-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[b]pyrrole?
The IUPAC name of 6-methyl-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[b]pyrrole (CID 83904798) is 6-methyl-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[b]pyrrole.
What is the SMILES notation for 6-methyl-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[b]pyrrole?
The canonical SMILES for 6-methyl-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[b]pyrrole is CC1CCC2CCNC12.
What is the InChIKey of 6-methyl-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[b]pyrrole?
The InChIKey is GTKDCUSPLDNHQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N/c1-6-2-3-7-4-5-9-8(6)7/h6-9H,2-5H2,1H3.
What are the key properties of 6-methyl-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[b]pyrrole?
6-methyl-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[b]pyrrole has a molecular weight of 125.22 g/mol, XLogP of 1.39, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[b]pyrrole is sourced from PubChem (CID 83904798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).