3,4-dimethyl-1H-pyrrole

C6H9N — CID 5324584

IUPAC3,4-dimethyl-1H-pyrrole
SMILESCc1c[nH]cc1C
InChIInChI=1S/C6H9N/c1-5-3-7-4-6(5)2/h3-4,7H,1-2H3
InChIKeyOJFOWGWQOFZNNJ-UHFFFAOYSA-N
MW95.14 g/mol
LogP1.63
Rot. Bonds

About 3,4-dimethyl-1H-pyrrole

3,4-dimethyl-1H-pyrrole (PubChem CID 5324584) has the molecular formula C6H9N and a molecular weight of 95.14 g/mol. Its IUPAC name is 3,4-dimethyl-1H-pyrrole.

Molecular Properties

Compound Name3,4-dimethyl-1H-pyrrole
PubChem CID5324584
Molecular FormulaC6H9N
Molecular Weight95.14 g/mol
Exact Mass95.07
IUPAC Name3,4-dimethyl-1H-pyrrole
SMILESCc1c[nH]cc1C
InChIInChI=1S/C6H9N/c1-5-3-7-4-6(5)2/h3-4,7H,1-2H3
InChIKeyOJFOWGWQOFZNNJ-UHFFFAOYSA-N
XLogP1.63
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50095.14
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

Analyze 3,4-dimethyl-1H-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 3,4-dimethyl-1H-pyrrole?
The IUPAC name of 3,4-dimethyl-1H-pyrrole (CID 5324584) is 3,4-dimethyl-1H-pyrrole.
What is the SMILES notation for 3,4-dimethyl-1H-pyrrole?
The canonical SMILES for 3,4-dimethyl-1H-pyrrole is Cc1c[nH]cc1C.
What is the InChIKey of 3,4-dimethyl-1H-pyrrole?
The InChIKey is OJFOWGWQOFZNNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N/c1-5-3-7-4-6(5)2/h3-4,7H,1-2H3.
What are the key properties of 3,4-dimethyl-1H-pyrrole?
3,4-dimethyl-1H-pyrrole has a molecular weight of 95.14 g/mol, XLogP of 1.63, 0 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethyl-1H-pyrrole is sourced from PubChem (CID 5324584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).