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

C12H18N2 — CID 118346322

IUPAC1,2,3,4,5,6-hexamethylpyrrolo[3,2-b]pyrrole
SMILESCc1c(C)n(C)c2c(C)c(C)n(C)c12
InChIInChI=1S/C12H18N2/c1-7-9(3)13(5)12-8(2)10(4)14(6)11(7)12/h1-6H3
InChIKeyWHSJPGKBIKRDCR-UHFFFAOYSA-N
MW190.29 g/mol
LogP2.75
Rot. Bonds

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

1,2,3,4,5,6-hexamethylpyrrolo[3,2-b]pyrrole (PubChem CID 118346322) has the molecular formula C12H18N2 and a molecular weight of 190.29 g/mol. Its IUPAC name is 1,2,3,4,5,6-hexamethylpyrrolo[3,2-b]pyrrole.

Molecular Properties

Compound Name1,2,3,4,5,6-hexamethylpyrrolo[3,2-b]pyrrole
PubChem CID118346322
Molecular FormulaC12H18N2
Molecular Weight190.29 g/mol
Exact Mass190.15
IUPAC Name1,2,3,4,5,6-hexamethylpyrrolo[3,2-b]pyrrole
SMILESCc1c(C)n(C)c2c(C)c(C)n(C)c12
InChIInChI=1S/C12H18N2/c1-7-9(3)13(5)12-8(2)10(4)14(6)11(7)12/h1-6H3
InChIKeyWHSJPGKBIKRDCR-UHFFFAOYSA-N
XLogP2.75
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.29
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,2,3,4,5,6-hexamethylpyrrolo[3,2-b]pyrrole?
The IUPAC name of 1,2,3,4,5,6-hexamethylpyrrolo[3,2-b]pyrrole (CID 118346322) is 1,2,3,4,5,6-hexamethylpyrrolo[3,2-b]pyrrole.
What is the SMILES notation for 1,2,3,4,5,6-hexamethylpyrrolo[3,2-b]pyrrole?
The canonical SMILES for 1,2,3,4,5,6-hexamethylpyrrolo[3,2-b]pyrrole is Cc1c(C)n(C)c2c(C)c(C)n(C)c12.
What is the InChIKey of 1,2,3,4,5,6-hexamethylpyrrolo[3,2-b]pyrrole?
The InChIKey is WHSJPGKBIKRDCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2/c1-7-9(3)13(5)12-8(2)10(4)14(6)11(7)12/h1-6H3.
What are the key properties of 1,2,3,4,5,6-hexamethylpyrrolo[3,2-b]pyrrole?
1,2,3,4,5,6-hexamethylpyrrolo[3,2-b]pyrrole has a molecular weight of 190.29 g/mol, XLogP of 2.75, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4,5,6-hexamethylpyrrolo[3,2-b]pyrrole is sourced from PubChem (CID 118346322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).