(3R,3aS,6aS)-3-cyclopentyl-5-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole

C12H22N2 — CID 129497157

IUPAC(3R,3aS,6aS)-3-cyclopentyl-5-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
SMILESCN1C[C@@H]2CN[C@H](C3CCCC3)[C@@H]2C1
InChIInChI=1S/C12H22N2/c1-14-7-10-6-13-12(11(10)8-14)9-4-2-3-5-9/h9-13H,2-8H2,1H3/t10-,11+,12+/m0/s1
InChIKeyMEEVLFJZXXTJRJ-QJPTWQEYSA-N
MW194.32 g/mol
LogP1.33
Rot. Bonds1

About (3R,3aS,6aS)-3-cyclopentyl-5-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole

(3R,3aS,6aS)-3-cyclopentyl-5-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole (PubChem CID 129497157) has the molecular formula C12H22N2 and a molecular weight of 194.32 g/mol. Its IUPAC name is (3R,3aS,6aS)-3-cyclopentyl-5-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole.

Molecular Properties

Compound Name(3R,3aS,6aS)-3-cyclopentyl-5-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
PubChem CID129497157
Molecular FormulaC12H22N2
Molecular Weight194.32 g/mol
Exact Mass194.18
IUPAC Name(3R,3aS,6aS)-3-cyclopentyl-5-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
SMILESCN1C[C@@H]2CN[C@H](C3CCCC3)[C@@H]2C1
InChIInChI=1S/C12H22N2/c1-14-7-10-6-13-12(11(10)8-14)9-4-2-3-5-9/h9-13H,2-8H2,1H3/t10-,11+,12+/m0/s1
InChIKeyMEEVLFJZXXTJRJ-QJPTWQEYSA-N
XLogP1.33
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.32
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (3R,3aS,6aS)-3-cyclopentyl-5-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole with MolForge

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Related Compounds

3-cyclopropyl-5-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
CID 121205235
1-cyclopropyl-2,3,3a,4,5,6,7,7a-octahydro-1H-isoindole
CID 144585232
2-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole
CID 12847769
(3aS)-2-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole
CID 142336980
3-cyclopentyl-1,4-dimethylpyrrolidine
CID 155424989
ethane;2-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole
CID 91339086
(1S,5S)-3-methyl-3-azabicyclo[3.3.1]nonan-9-amine
CID 98086940
2-cyclobutyl-3-cyclopropylazetidine
CID 131197284
6,8-dimethyl-2,3,4,4a,5,7,8,8a-octahydro-1H-1,6-naphthyridine
CID 83905689
4-cyclohexyl-1-methylpyrrolidin-3-amine
CID 82407513
ethane;6-methyl-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridine
CID 144987626
3-[3-fluoro-4-[4-(5-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-3-yl)piperidin-1-yl]phenyl]-1,2-dihydro-1,2,4-triazole-3,5-diamine
CID 143719361

Frequently Asked Questions

What is the IUPAC name of (3R,3aS,6aS)-3-cyclopentyl-5-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole?
The IUPAC name of (3R,3aS,6aS)-3-cyclopentyl-5-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole (CID 129497157) is (3R,3aS,6aS)-3-cyclopentyl-5-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole.
What is the SMILES notation for (3R,3aS,6aS)-3-cyclopentyl-5-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole?
The canonical SMILES for (3R,3aS,6aS)-3-cyclopentyl-5-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole is CN1C[C@@H]2CN[C@H](C3CCCC3)[C@@H]2C1.
What is the InChIKey of (3R,3aS,6aS)-3-cyclopentyl-5-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole?
The InChIKey is MEEVLFJZXXTJRJ-QJPTWQEYSA-N. The full InChI is InChI=1S/C12H22N2/c1-14-7-10-6-13-12(11(10)8-14)9-4-2-3-5-9/h9-13H,2-8H2,1H3/t10-,11+,12+/m0/s1.
What are the key properties of (3R,3aS,6aS)-3-cyclopentyl-5-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole?
(3R,3aS,6aS)-3-cyclopentyl-5-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole has a molecular weight of 194.32 g/mol, XLogP of 1.33, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,3aS,6aS)-3-cyclopentyl-5-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole is sourced from PubChem (CID 129497157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).