(3aR,6aS)-5-cyclopropyl-2,3a,6a-trimethyl-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrole

C12H22N2 — CID 170409631

IUPAC(3aR,6aS)-5-cyclopropyl-2,3a,6a-trimethyl-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrole
SMILESCN1C[C@@]2(C)CN(C3CC3)C[C@@]2(C)C1
InChIInChI=1S/C12H22N2/c1-11-6-13(3)7-12(11,2)9-14(8-11)10-4-5-10/h10H,4-9H2,1-3H3/t11-,12+
InChIKeyPIKGTXZEICJBCY-TXEJJXNPSA-N
MW194.32 g/mol
LogP1.42
Rot. Bonds1

About (3aR,6aS)-5-cyclopropyl-2,3a,6a-trimethyl-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrole

(3aR,6aS)-5-cyclopropyl-2,3a,6a-trimethyl-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrole (PubChem CID 170409631) has the molecular formula C12H22N2 and a molecular weight of 194.32 g/mol. Its IUPAC name is (3aR,6aS)-5-cyclopropyl-2,3a,6a-trimethyl-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrole.

Molecular Properties

Compound Name(3aR,6aS)-5-cyclopropyl-2,3a,6a-trimethyl-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrole
PubChem CID170409631
Molecular FormulaC12H22N2
Molecular Weight194.32 g/mol
Exact Mass194.18
IUPAC Name(3aR,6aS)-5-cyclopropyl-2,3a,6a-trimethyl-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrole
SMILESCN1C[C@@]2(C)CN(C3CC3)C[C@@]2(C)C1
InChIInChI=1S/C12H22N2/c1-11-6-13(3)7-12(11,2)9-14(8-11)10-4-5-10/h10H,4-9H2,1-3H3/t11-,12+
InChIKeyPIKGTXZEICJBCY-TXEJJXNPSA-N
XLogP1.42
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.32
LogP ≤ 51.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (3aR,6aS)-5-cyclopropyl-2,3a,6a-trimethyl-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrole with MolForge

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Related Compounds

(3aS,6aR)-5-cyclopropyl-3a,6a-dimethyl-2,3,4,6-tetrahydro-1H-pyrrolo[3,4-c]pyrrole
CID 125453636
ethane;6-methyl-2-(1-methylpiperidin-4-yl)-2,6-diazaspiro[3.3]heptane
CID 171786053
ethane;(1S,5R)-1,3,5-trimethyl-3-azabicyclo[3.1.0]hexane
CID 168910371
5-(1-methylazetidin-3-yl)-5-azaspiro[2.3]hexane
CID 166489027
1,3,5-tris[4-(3,5-dimethyl-1,3,5-triazinan-1-yl)cyclohexyl]-1,3,5-triazinane
CID 126584438
3a,5,6a-trimethyl-2,3,4,6-tetrahydro-1H-pyrrolo[3,4-c]pyrrole;dihydrochloride
CID 126796964
2,3a,6a-trimethyl-5-(piperidin-1-ium-4-ylmethyl)-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrole
CID 162741740
1,4-dimethylpiperazine;methane;1,3,3,5,5-pentamethylpiperazine
CID 160555992
7-methyl-2-(4-prop-1-ynylcyclohexyl)-2,7-diazaspiro[3.5]nonane
CID 155218528
4-(1-tert-butylpiperidin-4-yl)-1,2,2,6,6-pentamethylpiperazine
CID 71055637
1,3,5,6-tetramethyl-3-azabicyclo[3.1.0]hexane
CID 167503016
3-fluoro-1,3-dimethylazetidine
CID 89296536

Frequently Asked Questions

What is the IUPAC name of (3aR,6aS)-5-cyclopropyl-2,3a,6a-trimethyl-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrole?
The IUPAC name of (3aR,6aS)-5-cyclopropyl-2,3a,6a-trimethyl-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrole (CID 170409631) is (3aR,6aS)-5-cyclopropyl-2,3a,6a-trimethyl-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrole.
What is the SMILES notation for (3aR,6aS)-5-cyclopropyl-2,3a,6a-trimethyl-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrole?
The canonical SMILES for (3aR,6aS)-5-cyclopropyl-2,3a,6a-trimethyl-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrole is CN1C[C@@]2(C)CN(C3CC3)C[C@@]2(C)C1.
What is the InChIKey of (3aR,6aS)-5-cyclopropyl-2,3a,6a-trimethyl-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrole?
The InChIKey is PIKGTXZEICJBCY-TXEJJXNPSA-N. The full InChI is InChI=1S/C12H22N2/c1-11-6-13(3)7-12(11,2)9-14(8-11)10-4-5-10/h10H,4-9H2,1-3H3/t11-,12+.
What are the key properties of (3aR,6aS)-5-cyclopropyl-2,3a,6a-trimethyl-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrole?
(3aR,6aS)-5-cyclopropyl-2,3a,6a-trimethyl-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrole has a molecular weight of 194.32 g/mol, XLogP of 1.42, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3aR,6aS)-5-cyclopropyl-2,3a,6a-trimethyl-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrole is sourced from PubChem (CID 170409631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).