1,2,4-trimethylpyrrole

C7H11N — CID 523251

IUPAC1,2,4-trimethylpyrrole
SMILESCc1cc(C)n(C)c1
InChIInChI=1S/C7H11N/c1-6-4-7(2)8(3)5-6/h4-5H,1-3H3
InChIKeyJAPNKJDKITTYLO-UHFFFAOYSA-N
MW109.17 g/mol
LogP1.64
Rot. Bonds

About 1,2,4-trimethylpyrrole

1,2,4-trimethylpyrrole (PubChem CID 523251) has the molecular formula C7H11N and a molecular weight of 109.17 g/mol. Its IUPAC name is 1,2,4-trimethylpyrrole.

Molecular Properties

Compound Name1,2,4-trimethylpyrrole
PubChem CID523251
Molecular FormulaC7H11N
Molecular Weight109.17 g/mol
Exact Mass109.09
IUPAC Name1,2,4-trimethylpyrrole
SMILESCc1cc(C)n(C)c1
InChIInChI=1S/C7H11N/c1-6-4-7(2)8(3)5-6/h4-5H,1-3H3
InChIKeyJAPNKJDKITTYLO-UHFFFAOYSA-N
XLogP1.64
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500109.17
LogP ≤ 51.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,2,4-trimethylpyrrole?
The IUPAC name of 1,2,4-trimethylpyrrole (CID 523251) is 1,2,4-trimethylpyrrole.
What is the SMILES notation for 1,2,4-trimethylpyrrole?
The canonical SMILES for 1,2,4-trimethylpyrrole is Cc1cc(C)n(C)c1.
What is the InChIKey of 1,2,4-trimethylpyrrole?
The InChIKey is JAPNKJDKITTYLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N/c1-6-4-7(2)8(3)5-6/h4-5H,1-3H3.
What are the key properties of 1,2,4-trimethylpyrrole?
1,2,4-trimethylpyrrole has a molecular weight of 109.17 g/mol, XLogP of 1.64, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,4-trimethylpyrrole is sourced from PubChem (CID 523251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).