2-ethyl-1,5-dimethylpyrrole

C8H13N — CID 58753586

IUPAC2-ethyl-1,5-dimethylpyrrole
SMILESCCc1ccc(C)n1C
InChIInChI=1S/C8H13N/c1-4-8-6-5-7(2)9(8)3/h5-6H,4H2,1-3H3
InChIKeyKMFHCIWNDJIDDL-UHFFFAOYSA-N
MW123.20 g/mol
LogP1.90
Rot. Bonds1

About 2-ethyl-1,5-dimethylpyrrole

2-ethyl-1,5-dimethylpyrrole (PubChem CID 58753586) has the molecular formula C8H13N and a molecular weight of 123.20 g/mol. Its IUPAC name is 2-ethyl-1,5-dimethylpyrrole.

Molecular Properties

Compound Name2-ethyl-1,5-dimethylpyrrole
PubChem CID58753586
Molecular FormulaC8H13N
Molecular Weight123.20 g/mol
Exact Mass123.10
IUPAC Name2-ethyl-1,5-dimethylpyrrole
SMILESCCc1ccc(C)n1C
InChIInChI=1S/C8H13N/c1-4-8-6-5-7(2)9(8)3/h5-6H,4H2,1-3H3
InChIKeyKMFHCIWNDJIDDL-UHFFFAOYSA-N
XLogP1.90
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500123.20
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1,5-dimethylpyrrole?
The IUPAC name of 2-ethyl-1,5-dimethylpyrrole (CID 58753586) is 2-ethyl-1,5-dimethylpyrrole.
What is the SMILES notation for 2-ethyl-1,5-dimethylpyrrole?
The canonical SMILES for 2-ethyl-1,5-dimethylpyrrole is CCc1ccc(C)n1C.
What is the InChIKey of 2-ethyl-1,5-dimethylpyrrole?
The InChIKey is KMFHCIWNDJIDDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N/c1-4-8-6-5-7(2)9(8)3/h5-6H,4H2,1-3H3.
What are the key properties of 2-ethyl-1,5-dimethylpyrrole?
2-ethyl-1,5-dimethylpyrrole has a molecular weight of 123.20 g/mol, XLogP of 1.90, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1,5-dimethylpyrrole is sourced from PubChem (CID 58753586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).