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

C10H18N2 — CID 131154014

IUPAC2,5-diethyl-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrole
SMILESCCN1CC2=C(C1)CN(CC)C2
InChIInChI=1S/C10H18N2/c1-3-11-5-9-7-12(4-2)8-10(9)6-11/h3-8H2,1-2H3
InChIKeyRKMCIUQKVZQAKN-UHFFFAOYSA-N
MW166.27 g/mol
LogP0.95
Rot. Bonds2

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

2,5-diethyl-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrole (PubChem CID 131154014) has the molecular formula C10H18N2 and a molecular weight of 166.27 g/mol. Its IUPAC name is 2,5-diethyl-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrole.

Molecular Properties

Compound Name2,5-diethyl-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrole
PubChem CID131154014
Molecular FormulaC10H18N2
Molecular Weight166.27 g/mol
Exact Mass166.15
IUPAC Name2,5-diethyl-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrole
SMILESCCN1CC2=C(C1)CN(CC)C2
InChIInChI=1S/C10H18N2/c1-3-11-5-9-7-12(4-2)8-10(9)6-11/h3-8H2,1-2H3
InChIKeyRKMCIUQKVZQAKN-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'}

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Frequently Asked Questions

What is the IUPAC name of 2,5-diethyl-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrole?
The IUPAC name of 2,5-diethyl-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrole (CID 131154014) is 2,5-diethyl-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrole.
What is the SMILES notation for 2,5-diethyl-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrole?
The canonical SMILES for 2,5-diethyl-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrole is CCN1CC2=C(C1)CN(CC)C2.
What is the InChIKey of 2,5-diethyl-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrole?
The InChIKey is RKMCIUQKVZQAKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2/c1-3-11-5-9-7-12(4-2)8-10(9)6-11/h3-8H2,1-2H3.
What are the key properties of 2,5-diethyl-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrole?
2,5-diethyl-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 2,5-diethyl-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrole is sourced from PubChem (CID 131154014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).