(3aR,6aR)-1-cyclopentyl-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[3,4-b]pyrrole

C11H20N2 — CID 131031737

IUPAC(3aR,6aR)-1-cyclopentyl-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[3,4-b]pyrrole
SMILESC1CCC(N2CC[C@@H]3CNC[C@@H]32)C1
InChIInChI=1S/C11H20N2/c1-2-4-10(3-1)13-6-5-9-7-12-8-11(9)13/h9-12H,1-8H2/t9-,11+/m1/s1
InChIKeyXGRRLHPMEBOXBX-KOLCDFICSA-N
MW180.29 g/mol
LogP1.22
Rot. Bonds1

About (3aR,6aR)-1-cyclopentyl-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[3,4-b]pyrrole

(3aR,6aR)-1-cyclopentyl-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[3,4-b]pyrrole (PubChem CID 131031737) has the molecular formula C11H20N2 and a molecular weight of 180.29 g/mol. Its IUPAC name is (3aR,6aR)-1-cyclopentyl-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[3,4-b]pyrrole.

Molecular Properties

Compound Name(3aR,6aR)-1-cyclopentyl-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[3,4-b]pyrrole
PubChem CID131031737
Molecular FormulaC11H20N2
Molecular Weight180.29 g/mol
Exact Mass180.16
IUPAC Name(3aR,6aR)-1-cyclopentyl-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[3,4-b]pyrrole
SMILESC1CCC(N2CC[C@@H]3CNC[C@@H]32)C1
InChIInChI=1S/C11H20N2/c1-2-4-10(3-1)13-6-5-9-7-12-8-11(9)13/h9-12H,1-8H2/t9-,11+/m1/s1
InChIKeyXGRRLHPMEBOXBX-KOLCDFICSA-N
XLogP1.22
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.29
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (3aR,6aR)-1-cyclopentyl-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[3,4-b]pyrrole with MolForge

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Related Compounds

(4aR,7aR)-1-cyclopropyl-2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridine
CID 131002494
(3aS,6aS)-1-(oxan-4-yl)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[3,4-b]pyrrole
CID 130761874
2-cyclohexyl-1-cyclopentylpiperazine
CID 82936755
1-(oxepan-4-yl)-2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridine
CID 102677910
1-(azetidin-3-yl)-2,3,3a,4,5,6,7,7a-octahydroindole
CID 82750917
3-(1-cyclohexylpyrrolidin-2-yl)piperidine
CID 66272789
bis(1-methyl-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole);dihydrochloride
CID 154734095
1-[1-(2-fluorophenyl)piperidin-4-yl]-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[3,4-b]pyrrole
CID 156608575
1-piperidin-4-yl-2,3,3a,4,5,6,7,7a-octahydroindole
CID 82750918
(3aS,6aS)-1-[1-(2-phenylethyl)piperidin-4-yl]-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[3,4-b]pyrrole
CID 121497137
[4-[(3aS,6aS)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[3,4-b]pyrrol-1-yl]piperidin-1-yl]-phenylmethanone
CID 121496541
1-(1-phenylpiperidin-4-yl)-2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridine
CID 106820718

Frequently Asked Questions

What is the IUPAC name of (3aR,6aR)-1-cyclopentyl-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[3,4-b]pyrrole?
The IUPAC name of (3aR,6aR)-1-cyclopentyl-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[3,4-b]pyrrole (CID 131031737) is (3aR,6aR)-1-cyclopentyl-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[3,4-b]pyrrole.
What is the SMILES notation for (3aR,6aR)-1-cyclopentyl-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[3,4-b]pyrrole?
The canonical SMILES for (3aR,6aR)-1-cyclopentyl-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[3,4-b]pyrrole is C1CCC(N2CC[C@@H]3CNC[C@@H]32)C1.
What is the InChIKey of (3aR,6aR)-1-cyclopentyl-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[3,4-b]pyrrole?
The InChIKey is XGRRLHPMEBOXBX-KOLCDFICSA-N. The full InChI is InChI=1S/C11H20N2/c1-2-4-10(3-1)13-6-5-9-7-12-8-11(9)13/h9-12H,1-8H2/t9-,11+/m1/s1.
What are the key properties of (3aR,6aR)-1-cyclopentyl-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[3,4-b]pyrrole?
(3aR,6aR)-1-cyclopentyl-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[3,4-b]pyrrole has a molecular weight of 180.29 g/mol, XLogP of 1.22, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3aR,6aR)-1-cyclopentyl-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[3,4-b]pyrrole is sourced from PubChem (CID 131031737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).