(6R)-3,6-dimethyl-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[b]pyrrole

C9H17N — CID 163817259

IUPAC(6R)-3,6-dimethyl-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[b]pyrrole
SMILESCC1CNC2C1CC[C@H]2C
InChIInChI=1S/C9H17N/c1-6-3-4-8-7(2)5-10-9(6)8/h6-10H,3-5H2,1-2H3/t6-,7?,8?,9?/m1/s1
InChIKeyNSKDTXJLOYEECM-LJSVPSOQSA-N
MW139.24 g/mol
LogP1.64
Rot. Bonds

About (6R)-3,6-dimethyl-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[b]pyrrole

(6R)-3,6-dimethyl-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[b]pyrrole (PubChem CID 163817259) has the molecular formula C9H17N and a molecular weight of 139.24 g/mol. Its IUPAC name is (6R)-3,6-dimethyl-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[b]pyrrole.

Molecular Properties

Compound Name(6R)-3,6-dimethyl-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[b]pyrrole
PubChem CID163817259
Molecular FormulaC9H17N
Molecular Weight139.24 g/mol
Exact Mass139.14
IUPAC Name(6R)-3,6-dimethyl-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[b]pyrrole
SMILESCC1CNC2C1CC[C@H]2C
InChIInChI=1S/C9H17N/c1-6-3-4-8-7(2)5-10-9(6)8/h6-10H,3-5H2,1-2H3/t6-,7?,8?,9?/m1/s1
InChIKeyNSKDTXJLOYEECM-LJSVPSOQSA-N
XLogP1.64
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 ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze (6R)-3,6-dimethyl-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[b]pyrrole with MolForge

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Related Compounds

(3S,3aR,7aS)-3-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indole
CID 55287432
(3S,3aS,7aS)-3-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indole
CID 92844990
(3R)-2,3-dimethylazetidine
CID 154523082
6-methyl-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[b]pyrrole
CID 83904798
3-(2-methylcyclobutyl)-4,5-didehydro-2,3-dihydro-1H-pyrrole
CID 163708868
5,7-dimethyl-2,3,4,4a,5,6,7,7a-octahydro-1H-cyclopenta[b]pyridine;ethane;methane
CID 157051839
1,2,7,8-tetramethyl-1,2,3,4,4a,4b,5,6,7,8,8a,9,10,10a-tetradecahydrophenanthrene
CID 123566635
5-methyl-2,3,4,4a,5,6,7,7a-octahydro-1H-pyrrolo[2,3-d]pyrimidine
CID 170905528
(2R)-3-methoxy-2-(2-methylcyclopropyl)azetidine
CID 163873844
2,6-dimethylbicyclo[3.2.0]heptane
CID 91170917
(2S)-6-azatricyclo[3.2.0.02,4]heptane
CID 163535708
(1S)-1-fluoro-2-methylcyclobutane
CID 149484221

Frequently Asked Questions

What is the IUPAC name of (6R)-3,6-dimethyl-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[b]pyrrole?
The IUPAC name of (6R)-3,6-dimethyl-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[b]pyrrole (CID 163817259) is (6R)-3,6-dimethyl-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[b]pyrrole.
What is the SMILES notation for (6R)-3,6-dimethyl-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[b]pyrrole?
The canonical SMILES for (6R)-3,6-dimethyl-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[b]pyrrole is CC1CNC2C1CC[C@H]2C.
What is the InChIKey of (6R)-3,6-dimethyl-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[b]pyrrole?
The InChIKey is NSKDTXJLOYEECM-LJSVPSOQSA-N. The full InChI is InChI=1S/C9H17N/c1-6-3-4-8-7(2)5-10-9(6)8/h6-10H,3-5H2,1-2H3/t6-,7?,8?,9?/m1/s1.
What are the key properties of (6R)-3,6-dimethyl-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[b]pyrrole?
(6R)-3,6-dimethyl-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[b]pyrrole has a molecular weight of 139.24 g/mol, XLogP of 1.64, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-3,6-dimethyl-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[b]pyrrole is sourced from PubChem (CID 163817259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).