(3aS,6aR)-5-cyclopropyl-3a,6a-dimethyl-2,3,4,6-tetrahydro-1H-pyrrolo[3,4-c]pyrrole

C11H20N2 — CID 125453636

IUPAC(3aS,6aR)-5-cyclopropyl-3a,6a-dimethyl-2,3,4,6-tetrahydro-1H-pyrrolo[3,4-c]pyrrole
SMILESC[C@@]12CNC[C@]1(C)CN(C1CC1)C2
InChIInChI=1S/C11H20N2/c1-10-5-12-6-11(10,2)8-13(7-10)9-3-4-9/h9,12H,3-8H2,1-2H3/t10-,11+
InChIKeyMZIKCIAWYHYPCK-PHIMTYICSA-N
MW180.29 g/mol
LogP1.08
Rot. Bonds1

About (3aS,6aR)-5-cyclopropyl-3a,6a-dimethyl-2,3,4,6-tetrahydro-1H-pyrrolo[3,4-c]pyrrole

(3aS,6aR)-5-cyclopropyl-3a,6a-dimethyl-2,3,4,6-tetrahydro-1H-pyrrolo[3,4-c]pyrrole (PubChem CID 125453636) has the molecular formula C11H20N2 and a molecular weight of 180.29 g/mol. Its IUPAC name is (3aS,6aR)-5-cyclopropyl-3a,6a-dimethyl-2,3,4,6-tetrahydro-1H-pyrrolo[3,4-c]pyrrole.

Molecular Properties

Compound Name(3aS,6aR)-5-cyclopropyl-3a,6a-dimethyl-2,3,4,6-tetrahydro-1H-pyrrolo[3,4-c]pyrrole
PubChem CID125453636
Molecular FormulaC11H20N2
Molecular Weight180.29 g/mol
Exact Mass180.16
IUPAC Name(3aS,6aR)-5-cyclopropyl-3a,6a-dimethyl-2,3,4,6-tetrahydro-1H-pyrrolo[3,4-c]pyrrole
SMILESC[C@@]12CNC[C@]1(C)CN(C1CC1)C2
InChIInChI=1S/C11H20N2/c1-10-5-12-6-11(10,2)8-13(7-10)9-3-4-9/h9,12H,3-8H2,1-2H3/t10-,11+
InChIKeyMZIKCIAWYHYPCK-PHIMTYICSA-N
XLogP1.08
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 ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3aR,6aS)-5-cyclopropyl-2,3a,6a-trimethyl-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrole
CID 170409631
2-cyclobutyl-2,6-diazaspiro[3.3]heptane;dihydrochloride
CID 167729280
3a,5,6a-trimethyl-2,3,4,6-tetrahydro-1H-pyrrolo[3,4-c]pyrrole;dihydrochloride
CID 126796964
2-cyclopropyl-2,6-diazaspiro[3.3]heptane;2,2,2-trifluoroacetic acid
CID 146272884
1-(azepan-4-yl)-3-methylazetidin-3-ol
CID 131182366
4-(3-ethoxy-3-methylazetidin-1-yl)piperidine
CID 130804630
1-cyclopropyl-3,3-dimethylpiperidin-4-one
CID 117024261
4-cyclohexyl-6,6-dimethylpiperazin-2-one
CID 117023924
1-cyclopropyl-4-[(4-methylpiperidin-4-yl)methyl]piperazine
CID 63122830
1,5-dimethyl-3-azabicyclo[3.1.0]hexane
CID 23049859
1,5-dimethyl-3-azabicyclo[3.2.0]heptane
CID 23049848
4-cyclopropyl-2,2,6,6-tetramethyl-1,4-diazepan-5-one
CID 117023601

Frequently Asked Questions

What is the IUPAC name of (3aS,6aR)-5-cyclopropyl-3a,6a-dimethyl-2,3,4,6-tetrahydro-1H-pyrrolo[3,4-c]pyrrole?
The IUPAC name of (3aS,6aR)-5-cyclopropyl-3a,6a-dimethyl-2,3,4,6-tetrahydro-1H-pyrrolo[3,4-c]pyrrole (CID 125453636) is (3aS,6aR)-5-cyclopropyl-3a,6a-dimethyl-2,3,4,6-tetrahydro-1H-pyrrolo[3,4-c]pyrrole.
What is the SMILES notation for (3aS,6aR)-5-cyclopropyl-3a,6a-dimethyl-2,3,4,6-tetrahydro-1H-pyrrolo[3,4-c]pyrrole?
The canonical SMILES for (3aS,6aR)-5-cyclopropyl-3a,6a-dimethyl-2,3,4,6-tetrahydro-1H-pyrrolo[3,4-c]pyrrole is C[C@@]12CNC[C@]1(C)CN(C1CC1)C2.
What is the InChIKey of (3aS,6aR)-5-cyclopropyl-3a,6a-dimethyl-2,3,4,6-tetrahydro-1H-pyrrolo[3,4-c]pyrrole?
The InChIKey is MZIKCIAWYHYPCK-PHIMTYICSA-N. The full InChI is InChI=1S/C11H20N2/c1-10-5-12-6-11(10,2)8-13(7-10)9-3-4-9/h9,12H,3-8H2,1-2H3/t10-,11+.
What are the key properties of (3aS,6aR)-5-cyclopropyl-3a,6a-dimethyl-2,3,4,6-tetrahydro-1H-pyrrolo[3,4-c]pyrrole?
(3aS,6aR)-5-cyclopropyl-3a,6a-dimethyl-2,3,4,6-tetrahydro-1H-pyrrolo[3,4-c]pyrrole has a molecular weight of 180.29 g/mol, XLogP of 1.08, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3aS,6aR)-5-cyclopropyl-3a,6a-dimethyl-2,3,4,6-tetrahydro-1H-pyrrolo[3,4-c]pyrrole is sourced from PubChem (CID 125453636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).