3-methyl-1H-pyrrole

C5H7N — CID 12023

IUPAC3-methyl-1H-pyrrole
SMILESCc1cc[nH]c1
InChIInChI=1S/C5H7N/c1-5-2-3-6-4-5/h2-4,6H,1H3
InChIKeyFEKWWZCCJDUWLY-UHFFFAOYSA-N
MW81.12 g/mol
LogP1.32
Rot. Bonds

About 3-methyl-1H-pyrrole

3-methyl-1H-pyrrole (PubChem CID 12023) has the molecular formula C5H7N and a molecular weight of 81.12 g/mol. Its IUPAC name is 3-methyl-1H-pyrrole.

Molecular Properties

Compound Name3-methyl-1H-pyrrole
PubChem CID12023
Molecular FormulaC5H7N
Molecular Weight81.12 g/mol
Exact Mass81.06
IUPAC Name3-methyl-1H-pyrrole
SMILESCc1cc[nH]c1
InChIInChI=1S/C5H7N/c1-5-2-3-6-4-5/h2-4,6H,1H3
InChIKeyFEKWWZCCJDUWLY-UHFFFAOYSA-N
XLogP1.32
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50081.12
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

Analyze 3-methyl-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-methyl-1H-pyrrole?
The IUPAC name of 3-methyl-1H-pyrrole (CID 12023) is 3-methyl-1H-pyrrole.
What is the SMILES notation for 3-methyl-1H-pyrrole?
The canonical SMILES for 3-methyl-1H-pyrrole is Cc1cc[nH]c1.
What is the InChIKey of 3-methyl-1H-pyrrole?
The InChIKey is FEKWWZCCJDUWLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7N/c1-5-2-3-6-4-5/h2-4,6H,1H3.
What are the key properties of 3-methyl-1H-pyrrole?
3-methyl-1H-pyrrole has a molecular weight of 81.12 g/mol, XLogP of 1.32, 0 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1H-pyrrole is sourced from PubChem (CID 12023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).