1,2,4,5,6-pentamethylpyrrolo[3,2-b]pyrrole

C11H16N2 — CID 118346332

IUPAC1,2,4,5,6-pentamethylpyrrolo[3,2-b]pyrrole
SMILESCc1c(C)n(C)c2cc(C)n(C)c12
InChIInChI=1S/C11H16N2/c1-7-6-10-11(12(7)4)8(2)9(3)13(10)5/h6H,1-5H3
InChIKeyUVVOQPQHERMXDV-UHFFFAOYSA-N
MW176.26 g/mol
LogP2.44
Rot. Bonds

About 1,2,4,5,6-pentamethylpyrrolo[3,2-b]pyrrole

1,2,4,5,6-pentamethylpyrrolo[3,2-b]pyrrole (PubChem CID 118346332) has the molecular formula C11H16N2 and a molecular weight of 176.26 g/mol. Its IUPAC name is 1,2,4,5,6-pentamethylpyrrolo[3,2-b]pyrrole.

Molecular Properties

Compound Name1,2,4,5,6-pentamethylpyrrolo[3,2-b]pyrrole
PubChem CID118346332
Molecular FormulaC11H16N2
Molecular Weight176.26 g/mol
Exact Mass176.13
IUPAC Name1,2,4,5,6-pentamethylpyrrolo[3,2-b]pyrrole
SMILESCc1c(C)n(C)c2cc(C)n(C)c12
InChIInChI=1S/C11H16N2/c1-7-6-10-11(12(7)4)8(2)9(3)13(10)5/h6H,1-5H3
InChIKeyUVVOQPQHERMXDV-UHFFFAOYSA-N
XLogP2.44
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.26
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,2,4,5,6-pentamethylpyrrolo[3,2-b]pyrrole?
The IUPAC name of 1,2,4,5,6-pentamethylpyrrolo[3,2-b]pyrrole (CID 118346332) is 1,2,4,5,6-pentamethylpyrrolo[3,2-b]pyrrole.
What is the SMILES notation for 1,2,4,5,6-pentamethylpyrrolo[3,2-b]pyrrole?
The canonical SMILES for 1,2,4,5,6-pentamethylpyrrolo[3,2-b]pyrrole is Cc1c(C)n(C)c2cc(C)n(C)c12.
What is the InChIKey of 1,2,4,5,6-pentamethylpyrrolo[3,2-b]pyrrole?
The InChIKey is UVVOQPQHERMXDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2/c1-7-6-10-11(12(7)4)8(2)9(3)13(10)5/h6H,1-5H3.
What are the key properties of 1,2,4,5,6-pentamethylpyrrolo[3,2-b]pyrrole?
1,2,4,5,6-pentamethylpyrrolo[3,2-b]pyrrole has a molecular weight of 176.26 g/mol, XLogP of 2.44, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,4,5,6-pentamethylpyrrolo[3,2-b]pyrrole is sourced from PubChem (CID 118346332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).