3-ethyl-5-methyl-2H-pyrrole

C7H11N — CID 23564163

IUPAC3-ethyl-5-methyl-2H-pyrrole
SMILESCCC1=CC(C)=NC1
InChIInChI=1S/C7H11N/c1-3-7-4-6(2)8-5-7/h4H,3,5H2,1-2H3
InChIKeyCRQBIOYEIVLQCP-UHFFFAOYSA-N
MW109.17 g/mol
LogP1.80
Rot. Bonds1

About 3-ethyl-5-methyl-2H-pyrrole

3-ethyl-5-methyl-2H-pyrrole (PubChem CID 23564163) has the molecular formula C7H11N and a molecular weight of 109.17 g/mol. Its IUPAC name is 3-ethyl-5-methyl-2H-pyrrole.

Molecular Properties

Compound Name3-ethyl-5-methyl-2H-pyrrole
PubChem CID23564163
Molecular FormulaC7H11N
Molecular Weight109.17 g/mol
Exact Mass109.09
IUPAC Name3-ethyl-5-methyl-2H-pyrrole
SMILESCCC1=CC(C)=NC1
InChIInChI=1S/C7H11N/c1-3-7-4-6(2)8-5-7/h4H,3,5H2,1-2H3
InChIKeyCRQBIOYEIVLQCP-UHFFFAOYSA-N
XLogP1.80
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500109.17
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-5-methyl-2H-pyrrole?
The IUPAC name of 3-ethyl-5-methyl-2H-pyrrole (CID 23564163) is 3-ethyl-5-methyl-2H-pyrrole.
What is the SMILES notation for 3-ethyl-5-methyl-2H-pyrrole?
The canonical SMILES for 3-ethyl-5-methyl-2H-pyrrole is CCC1=CC(C)=NC1.
What is the InChIKey of 3-ethyl-5-methyl-2H-pyrrole?
The InChIKey is CRQBIOYEIVLQCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N/c1-3-7-4-6(2)8-5-7/h4H,3,5H2,1-2H3.
What are the key properties of 3-ethyl-5-methyl-2H-pyrrole?
3-ethyl-5-methyl-2H-pyrrole has a molecular weight of 109.17 g/mol, XLogP of 1.80, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-5-methyl-2H-pyrrole is sourced from PubChem (CID 23564163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).