2-methyl-5-propyl-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrole

C10H18N2 — CID 130669692

IUPAC2-methyl-5-propyl-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrole
SMILESCCCN1CC2=C(CN(C)C2)C1
InChIInChI=1S/C10H18N2/c1-3-4-12-7-9-5-11(2)6-10(9)8-12/h3-8H2,1-2H3
InChIKeyHNCKLUZPSSZKJL-UHFFFAOYSA-N
MW166.27 g/mol
LogP0.95
Rot. Bonds2

About 2-methyl-5-propyl-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrole

2-methyl-5-propyl-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrole (PubChem CID 130669692) has the molecular formula C10H18N2 and a molecular weight of 166.27 g/mol. Its IUPAC name is 2-methyl-5-propyl-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrole.

Molecular Properties

Compound Name2-methyl-5-propyl-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrole
PubChem CID130669692
Molecular FormulaC10H18N2
Molecular Weight166.27 g/mol
Exact Mass166.15
IUPAC Name2-methyl-5-propyl-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrole
SMILESCCCN1CC2=C(CN(C)C2)C1
InChIInChI=1S/C10H18N2/c1-3-4-12-7-9-5-11(2)6-10(9)8-12/h3-8H2,1-2H3
InChIKeyHNCKLUZPSSZKJL-UHFFFAOYSA-N
XLogP0.95
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.27
LogP ≤ 50.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 2-methyl-5-propyl-1,3,4,6-tetrahydropyrrolo[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

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-propyl-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrole?
The IUPAC name of 2-methyl-5-propyl-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrole (CID 130669692) is 2-methyl-5-propyl-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrole.
What is the SMILES notation for 2-methyl-5-propyl-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrole?
The canonical SMILES for 2-methyl-5-propyl-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrole is CCCN1CC2=C(CN(C)C2)C1.
What is the InChIKey of 2-methyl-5-propyl-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrole?
The InChIKey is HNCKLUZPSSZKJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2/c1-3-4-12-7-9-5-11(2)6-10(9)8-12/h3-8H2,1-2H3.
What are the key properties of 2-methyl-5-propyl-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrole?
2-methyl-5-propyl-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrole has a molecular weight of 166.27 g/mol, XLogP of 0.95, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-propyl-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrole is sourced from PubChem (CID 130669692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).