5-ethyl-4-methyl-3H-pyrrole

C7H11N — CID 89225448

IUPAC5-ethyl-4-methyl-3H-pyrrole
SMILESCCC1=C(C)CC=N1
InChIInChI=1S/C7H11N/c1-3-7-6(2)4-5-8-7/h5H,3-4H2,1-2H3
InChIKeyGOOGZJLHUIKVNC-UHFFFAOYSA-N
MW109.17 g/mol
LogP2.14
Rot. Bonds1

About 5-ethyl-4-methyl-3H-pyrrole

5-ethyl-4-methyl-3H-pyrrole (PubChem CID 89225448) has the molecular formula C7H11N and a molecular weight of 109.17 g/mol. Its IUPAC name is 5-ethyl-4-methyl-3H-pyrrole.

Molecular Properties

Compound Name5-ethyl-4-methyl-3H-pyrrole
PubChem CID89225448
Molecular FormulaC7H11N
Molecular Weight109.17 g/mol
Exact Mass109.09
IUPAC Name5-ethyl-4-methyl-3H-pyrrole
SMILESCCC1=C(C)CC=N1
InChIInChI=1S/C7H11N/c1-3-7-6(2)4-5-8-7/h5H,3-4H2,1-2H3
InChIKeyGOOGZJLHUIKVNC-UHFFFAOYSA-N
XLogP2.14
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 ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-4-methyl-3H-pyrrole?
The IUPAC name of 5-ethyl-4-methyl-3H-pyrrole (CID 89225448) is 5-ethyl-4-methyl-3H-pyrrole.
What is the SMILES notation for 5-ethyl-4-methyl-3H-pyrrole?
The canonical SMILES for 5-ethyl-4-methyl-3H-pyrrole is CCC1=C(C)CC=N1.
What is the InChIKey of 5-ethyl-4-methyl-3H-pyrrole?
The InChIKey is GOOGZJLHUIKVNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N/c1-3-7-6(2)4-5-8-7/h5H,3-4H2,1-2H3.
What are the key properties of 5-ethyl-4-methyl-3H-pyrrole?
5-ethyl-4-methyl-3H-pyrrole has a molecular weight of 109.17 g/mol, XLogP of 2.14, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-4-methyl-3H-pyrrole is sourced from PubChem (CID 89225448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).