2-methyl-1H-pyrrole

C5H7N — CID 12489

IUPAC2-methyl-1H-pyrrole
SMILESCc1ccc[nH]1
InChIInChI=1S/C5H7N/c1-5-3-2-4-6-5/h2-4,6H,1H3
InChIKeyTVCXVUHHCUYLGX-UHFFFAOYSA-N
MW81.12 g/mol
LogP1.32
Rot. Bonds

About 2-methyl-1H-pyrrole

2-methyl-1H-pyrrole (PubChem CID 12489) has the molecular formula C5H7N and a molecular weight of 81.12 g/mol. Its IUPAC name is 2-methyl-1H-pyrrole.

Molecular Properties

Compound Name2-methyl-1H-pyrrole
PubChem CID12489
Molecular FormulaC5H7N
Molecular Weight81.12 g/mol
Exact Mass81.06
IUPAC Name2-methyl-1H-pyrrole
SMILESCc1ccc[nH]1
InChIInChI=1S/C5H7N/c1-5-3-2-4-6-5/h2-4,6H,1H3
InChIKeyTVCXVUHHCUYLGX-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

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1H-pyrrole?
The IUPAC name of 2-methyl-1H-pyrrole (CID 12489) is 2-methyl-1H-pyrrole.
What is the SMILES notation for 2-methyl-1H-pyrrole?
The canonical SMILES for 2-methyl-1H-pyrrole is Cc1ccc[nH]1.
What is the InChIKey of 2-methyl-1H-pyrrole?
The InChIKey is TVCXVUHHCUYLGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7N/c1-5-3-2-4-6-5/h2-4,6H,1H3.
What are the key properties of 2-methyl-1H-pyrrole?
2-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 2-methyl-1H-pyrrole is sourced from PubChem (CID 12489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).