2-ethyl-2H-pyrrole

C6H9N — CID 67478601

IUPAC2-ethyl-2H-pyrrole
SMILESCCC1C=CC=N1
InChIInChI=1S/C6H9N/c1-2-6-4-3-5-7-6/h3-6H,2H2,1H3
InChIKeyJCWGWTUYTUHJFC-UHFFFAOYSA-N
MW95.14 g/mol
LogP1.41
Rot. Bonds1

About 2-ethyl-2H-pyrrole

2-ethyl-2H-pyrrole (PubChem CID 67478601) has the molecular formula C6H9N and a molecular weight of 95.14 g/mol. Its IUPAC name is 2-ethyl-2H-pyrrole.

Molecular Properties

Compound Name2-ethyl-2H-pyrrole
PubChem CID67478601
Molecular FormulaC6H9N
Molecular Weight95.14 g/mol
Exact Mass95.07
IUPAC Name2-ethyl-2H-pyrrole
SMILESCCC1C=CC=N1
InChIInChI=1S/C6H9N/c1-2-6-4-3-5-7-6/h3-6H,2H2,1H3
InChIKeyJCWGWTUYTUHJFC-UHFFFAOYSA-N
XLogP1.41
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50095.14
LogP ≤ 51.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-methyl-2H-pyrrole
CID 18970006
2-Methyl-2,3-dihydropyridine
CID 21652564
2,5-Dimethyl-2H-pyrrole
CID 21811124
3Hlutidine
CID 54235887
(2S)-3-fluoro-2-methyl-2,3-dihydropyridine
CID 67991667
4-fluoro-2-methyl-2H-pyrrole
CID 148435383
1-(2-fluoropyrrol-2-yl)-N-propan-2-ylmethanimine
CID 89251919
N-ethyl-1-(2-fluoropyrrol-2-yl)methanimine
CID 89251952
2,3-dimethyl-2H-pyrrole
CID 14938985
2,3-Dimethyl-2,3-dihydropyridine
CID 19937065
5-ethyl-2H-pyrrole
CID 20725724
1,2,5-trimethyl-2H-pyrrol-1-ium
CID 20749699

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2H-pyrrole?
The IUPAC name of 2-ethyl-2H-pyrrole (CID 67478601) is 2-ethyl-2H-pyrrole.
What is the SMILES notation for 2-ethyl-2H-pyrrole?
The canonical SMILES for 2-ethyl-2H-pyrrole is CCC1C=CC=N1.
What is the InChIKey of 2-ethyl-2H-pyrrole?
The InChIKey is JCWGWTUYTUHJFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N/c1-2-6-4-3-5-7-6/h3-6H,2H2,1H3.
What are the key properties of 2-ethyl-2H-pyrrole?
2-ethyl-2H-pyrrole has a molecular weight of 95.14 g/mol, XLogP of 1.41, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2H-pyrrole is sourced from PubChem (CID 67478601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).