2,4-dimethyl-1H-pyrrole;1H-pyrrole

C10H14N2 — CID 158090564

IUPAC2,4-dimethyl-1H-pyrrole;1H-pyrrole
SMILESCc1c[nH]c(C)c1.c1cc[nH]c1
InChIInChI=1S/C6H9N.C4H5N/c1-5-3-6(2)7-4-5;1-2-4-5-3-1/h3-4,7H,1-2H3;1-5H
InChIKeyFOAZHYVVWBOYKC-UHFFFAOYSA-N
MW162.24 g/mol
LogP2.65
Rot. Bonds

About 2,4-dimethyl-1H-pyrrole;1H-pyrrole

2,4-dimethyl-1H-pyrrole;1H-pyrrole (PubChem CID 158090564) has the molecular formula C10H14N2 and a molecular weight of 162.24 g/mol. Its IUPAC name is 2,4-dimethyl-1H-pyrrole;1H-pyrrole.

Molecular Properties

Compound Name2,4-dimethyl-1H-pyrrole;1H-pyrrole
PubChem CID158090564
Molecular FormulaC10H14N2
Molecular Weight162.24 g/mol
Exact Mass162.12
IUPAC Name2,4-dimethyl-1H-pyrrole;1H-pyrrole
SMILESCc1c[nH]c(C)c1.c1cc[nH]c1
InChIInChI=1S/C6H9N.C4H5N/c1-5-3-6(2)7-4-5;1-2-4-5-3-1/h3-4,7H,1-2H3;1-5H
InChIKeyFOAZHYVVWBOYKC-UHFFFAOYSA-N
XLogP2.65
TPSA31.58 Ų
H-Bond Donors2
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.24
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 100

Analyze 2,4-dimethyl-1H-pyrrole;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 2,4-dimethyl-1H-pyrrole;1H-pyrrole?
The IUPAC name of 2,4-dimethyl-1H-pyrrole;1H-pyrrole (CID 158090564) is 2,4-dimethyl-1H-pyrrole;1H-pyrrole.
What is the SMILES notation for 2,4-dimethyl-1H-pyrrole;1H-pyrrole?
The canonical SMILES for 2,4-dimethyl-1H-pyrrole;1H-pyrrole is Cc1c[nH]c(C)c1.c1cc[nH]c1.
What is the InChIKey of 2,4-dimethyl-1H-pyrrole;1H-pyrrole?
The InChIKey is FOAZHYVVWBOYKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N.C4H5N/c1-5-3-6(2)7-4-5;1-2-4-5-3-1/h3-4,7H,1-2H3;1-5H.
What are the key properties of 2,4-dimethyl-1H-pyrrole;1H-pyrrole?
2,4-dimethyl-1H-pyrrole;1H-pyrrole has a molecular weight of 162.24 g/mol, XLogP of 2.65, 0 rotatable bonds, 2 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-1H-pyrrole;1H-pyrrole is sourced from PubChem (CID 158090564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).