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

C10H20N2 — CID 155392390

IUPAC3a-methyl-5-propan-2-yl-1,2,3,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole
SMILESCC(C)N1CC2NCCC2(C)C1
InChIInChI=1S/C10H20N2/c1-8(2)12-6-9-10(3,7-12)4-5-11-9/h8-9,11H,4-7H2,1-3H3
InChIKeyTYVWUNBJMBVLBX-UHFFFAOYSA-N
MW168.28 g/mol
LogP1.08
Rot. Bonds1

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

3a-methyl-5-propan-2-yl-1,2,3,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole (PubChem CID 155392390) has the molecular formula C10H20N2 and a molecular weight of 168.28 g/mol. Its IUPAC name is 3a-methyl-5-propan-2-yl-1,2,3,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole.

Molecular Properties

Compound Name3a-methyl-5-propan-2-yl-1,2,3,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole
PubChem CID155392390
Molecular FormulaC10H20N2
Molecular Weight168.28 g/mol
Exact Mass168.16
IUPAC Name3a-methyl-5-propan-2-yl-1,2,3,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole
SMILESCC(C)N1CC2NCCC2(C)C1
InChIInChI=1S/C10H20N2/c1-8(2)12-6-9-10(3,7-12)4-5-11-9/h8-9,11H,4-7H2,1-3H3
InChIKeyTYVWUNBJMBVLBX-UHFFFAOYSA-N
XLogP1.08
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.28
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3a-methyl-5-propan-2-yl-1,2,3,4,6,6a-hexahydropyrrolo[2,3-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

Frequently Asked Questions

What is the IUPAC name of 3a-methyl-5-propan-2-yl-1,2,3,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole?
The IUPAC name of 3a-methyl-5-propan-2-yl-1,2,3,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole (CID 155392390) is 3a-methyl-5-propan-2-yl-1,2,3,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole.
What is the SMILES notation for 3a-methyl-5-propan-2-yl-1,2,3,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole?
The canonical SMILES for 3a-methyl-5-propan-2-yl-1,2,3,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole is CC(C)N1CC2NCCC2(C)C1.
What is the InChIKey of 3a-methyl-5-propan-2-yl-1,2,3,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole?
The InChIKey is TYVWUNBJMBVLBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2/c1-8(2)12-6-9-10(3,7-12)4-5-11-9/h8-9,11H,4-7H2,1-3H3.
What are the key properties of 3a-methyl-5-propan-2-yl-1,2,3,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole?
3a-methyl-5-propan-2-yl-1,2,3,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole has a molecular weight of 168.28 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 3a-methyl-5-propan-2-yl-1,2,3,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole is sourced from PubChem (CID 155392390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).