2,3a,5-trimethyl-3,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrole;ethane

C11H24N2 — CID 170582010

IUPAC2,3a,5-trimethyl-3,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrole;ethane
SMILESCC.CN1CC2CN(C)CC2(C)C1
InChIInChI=1S/C9H18N2.C2H6/c1-9-6-10(2)4-8(9)5-11(3)7-9;1-2/h8H,4-7H2,1-3H3;1-2H3
InChIKeyDMYGBNRKJAWZJW-UHFFFAOYSA-N
MW184.33 g/mol
LogP1.53
Rot. Bonds

About 2,3a,5-trimethyl-3,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrole;ethane

2,3a,5-trimethyl-3,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrole;ethane (PubChem CID 170582010) has the molecular formula C11H24N2 and a molecular weight of 184.33 g/mol. Its IUPAC name is 2,3a,5-trimethyl-3,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrole;ethane.

Molecular Properties

Compound Name2,3a,5-trimethyl-3,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrole;ethane
PubChem CID170582010
Molecular FormulaC11H24N2
Molecular Weight184.33 g/mol
Exact Mass184.19
IUPAC Name2,3a,5-trimethyl-3,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrole;ethane
SMILESCC.CN1CC2CN(C)CC2(C)C1
InChIInChI=1S/C9H18N2.C2H6/c1-9-6-10(2)4-8(9)5-11(3)7-9;1-2/h8H,4-7H2,1-3H3;1-2H3
InChIKeyDMYGBNRKJAWZJW-UHFFFAOYSA-N
XLogP1.53
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.33
LogP ≤ 51.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2,3a,5-trimethyl-3,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrole;ethane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-Fluoro-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole
CID 89584444
5-(2,2-Difluoroethyl)-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole
CID 118974515
2,3A,6a-trimethyl-octahydropyrrolo[3,4-c]pyrrole
CID 126796965
5-(2-Fluoroethyl)-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole
CID 130668513
(3aS,6aR)-5-fluoro-3a,6a-dimethyl-2-propan-2-yl-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrole
CID 162382761
(3aR,6aS)-5-fluoro-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole
CID 170581919
Ethane;2-methyl-5-(trifluoromethyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole
CID 170614137
Ethane;2-methyl-5-(2,2,2-trifluoroethyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole
CID 170614169
5-Fluoro-2,3a,6a-trimethyl-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrole
CID 176992945
2-Propyl-5-(2,2,2-trifluoroethyl)octahydropyrrolo[3,4-c]pyrrole
CID 121185700
2-Isobutyl-5-(2,2,2-trifluoroethyl)octahydropyrrolo[3,4-c]pyrrole
CID 121185705
2-(3,3-Dimethylbutyl)-5-(2,2,2-trifluoroethyl)octahydropyrrolo[3,4-c]pyrrole
CID 121185728

Frequently Asked Questions

What is the IUPAC name of 2,3a,5-trimethyl-3,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrole;ethane?
The IUPAC name of 2,3a,5-trimethyl-3,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrole;ethane (CID 170582010) is 2,3a,5-trimethyl-3,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrole;ethane.
What is the SMILES notation for 2,3a,5-trimethyl-3,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrole;ethane?
The canonical SMILES for 2,3a,5-trimethyl-3,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrole;ethane is CC.CN1CC2CN(C)CC2(C)C1.
What is the InChIKey of 2,3a,5-trimethyl-3,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrole;ethane?
The InChIKey is DMYGBNRKJAWZJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2.C2H6/c1-9-6-10(2)4-8(9)5-11(3)7-9;1-2/h8H,4-7H2,1-3H3;1-2H3.
What are the key properties of 2,3a,5-trimethyl-3,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrole;ethane?
2,3a,5-trimethyl-3,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrole;ethane has a molecular weight of 184.33 g/mol, XLogP of 1.53, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3a,5-trimethyl-3,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrole;ethane is sourced from PubChem (CID 170582010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).