3-butyl-2-ethyl-2H-pyrrole

C10H17N — CID 166774785

IUPAC3-butyl-2-ethyl-2H-pyrrole
SMILESCCCCC1=CC=NC1CC
InChIInChI=1S/C10H17N/c1-3-5-6-9-7-8-11-10(9)4-2/h7-8,10H,3-6H2,1-2H3
InChIKeyKEPJVWLMXGLZOK-UHFFFAOYSA-N
MW151.25 g/mol
LogP2.97
Rot. Bonds4

About 3-butyl-2-ethyl-2H-pyrrole

3-butyl-2-ethyl-2H-pyrrole (PubChem CID 166774785) has the molecular formula C10H17N and a molecular weight of 151.25 g/mol. Its IUPAC name is 3-butyl-2-ethyl-2H-pyrrole.

Molecular Properties

Compound Name3-butyl-2-ethyl-2H-pyrrole
PubChem CID166774785
Molecular FormulaC10H17N
Molecular Weight151.25 g/mol
Exact Mass151.14
IUPAC Name3-butyl-2-ethyl-2H-pyrrole
SMILESCCCCC1=CC=NC1CC
InChIInChI=1S/C10H17N/c1-3-5-6-9-7-8-11-10(9)4-2/h7-8,10H,3-6H2,1-2H3
InChIKeyKEPJVWLMXGLZOK-UHFFFAOYSA-N
XLogP2.97
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.25
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-butyl-2-ethyl-2H-pyrrole?
The IUPAC name of 3-butyl-2-ethyl-2H-pyrrole (CID 166774785) is 3-butyl-2-ethyl-2H-pyrrole.
What is the SMILES notation for 3-butyl-2-ethyl-2H-pyrrole?
The canonical SMILES for 3-butyl-2-ethyl-2H-pyrrole is CCCCC1=CC=NC1CC.
What is the InChIKey of 3-butyl-2-ethyl-2H-pyrrole?
The InChIKey is KEPJVWLMXGLZOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N/c1-3-5-6-9-7-8-11-10(9)4-2/h7-8,10H,3-6H2,1-2H3.
What are the key properties of 3-butyl-2-ethyl-2H-pyrrole?
3-butyl-2-ethyl-2H-pyrrole has a molecular weight of 151.25 g/mol, XLogP of 2.97, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butyl-2-ethyl-2H-pyrrole is sourced from PubChem (CID 166774785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).