2-methyl-5-(1-methylpyrrolidin-3-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole

C12H23N3 — CID 155218522

IUPAC2-methyl-5-(1-methylpyrrolidin-3-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole
SMILESCN1CC2CN(C3CCN(C)C3)CC2C1
InChIInChI=1S/C12H23N3/c1-13-4-3-12(9-13)15-7-10-5-14(2)6-11(10)8-15/h10-12H,3-9H2,1-2H3
InChIKeyNOGIYYGYAOJIOP-UHFFFAOYSA-N
MW209.34 g/mol
LogP0.18
Rot. Bonds1

About 2-methyl-5-(1-methylpyrrolidin-3-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole

2-methyl-5-(1-methylpyrrolidin-3-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole (PubChem CID 155218522) has the molecular formula C12H23N3 and a molecular weight of 209.34 g/mol. Its IUPAC name is 2-methyl-5-(1-methylpyrrolidin-3-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole.

Molecular Properties

Compound Name2-methyl-5-(1-methylpyrrolidin-3-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole
PubChem CID155218522
Molecular FormulaC12H23N3
Molecular Weight209.34 g/mol
Exact Mass209.19
IUPAC Name2-methyl-5-(1-methylpyrrolidin-3-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole
SMILESCN1CC2CN(C3CCN(C)C3)CC2C1
InChIInChI=1S/C12H23N3/c1-13-4-3-12(9-13)15-7-10-5-14(2)6-11(10)8-15/h10-12H,3-9H2,1-2H3
InChIKeyNOGIYYGYAOJIOP-UHFFFAOYSA-N
XLogP0.18
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.34
LogP ≤ 50.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-methyl-5-(1-methylpyrrolidin-3-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole 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

1-methyl-4-[1-(1-methylpyrrolidin-3-yl)azetidin-3-yl]piperazine
CID 167091081
3-(3-ethylazetidin-1-yl)-1-methylpyrrolidine
CID 164846501
4-methyl-1-(1-methylpyrrolidin-3-yl)piperidine
CID 126993329
ethane;1-(1-methylpyrrolidin-3-yl)azepane
CID 142272859
1-[(3S)-1-methylpyrrolidin-3-yl]piperazine
CID 94910735
4-(1-methylpyrrolidin-3-yl)piperazin-1-amine
CID 177318483
2-methyl-5-[[1-(1-methylpiperidin-4-yl)piperidin-4-yl]methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole
CID 167091235
3-(1-methylpyrrolidin-3-yl)-3,9-diazabicyclo[4.2.1]nonane
CID 115313910
4-iodo-3,4,5-trimethyl-1-(1-methylpyrrolidin-3-yl)piperidine
CID 167226853
2-[1-(1-methylpiperidin-4-yl)piperidin-3-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole
CID 170022407
(3aR,5S,6S,7aS)-2-(1-methylpiperidin-4-yl)-1,3,3a,4,5,6,7,7a-octahydroisoindole-5,6-diol
CID 131940845
2-methyl-5-(oxetan-3-yl)-3,3a,4,6,7,7a-hexahydro-1H-pyrrolo[3,4-c]pyridine
CID 178157120

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-(1-methylpyrrolidin-3-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole?
The IUPAC name of 2-methyl-5-(1-methylpyrrolidin-3-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole (CID 155218522) is 2-methyl-5-(1-methylpyrrolidin-3-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole.
What is the SMILES notation for 2-methyl-5-(1-methylpyrrolidin-3-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole?
The canonical SMILES for 2-methyl-5-(1-methylpyrrolidin-3-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole is CN1CC2CN(C3CCN(C)C3)CC2C1.
What is the InChIKey of 2-methyl-5-(1-methylpyrrolidin-3-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole?
The InChIKey is NOGIYYGYAOJIOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3/c1-13-4-3-12(9-13)15-7-10-5-14(2)6-11(10)8-15/h10-12H,3-9H2,1-2H3.
What are the key properties of 2-methyl-5-(1-methylpyrrolidin-3-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole?
2-methyl-5-(1-methylpyrrolidin-3-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole has a molecular weight of 209.34 g/mol, XLogP of 0.18, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-(1-methylpyrrolidin-3-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole is sourced from PubChem (CID 155218522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).