3-butyl-3-ethylpyrrole

C10H17N — CID 90014834

IUPAC3-butyl-3-ethylpyrrole
SMILESCCCCC1(CC)C=CN=C1
InChIInChI=1S/C10H17N/c1-3-5-6-10(4-2)7-8-11-9-10/h7-9H,3-6H2,1-2H3
InChIKeyOGMUWATZAFWIOD-UHFFFAOYSA-N
MW151.25 g/mol
LogP3.17
Rot. Bonds4

About 3-butyl-3-ethylpyrrole

3-butyl-3-ethylpyrrole (PubChem CID 90014834) has the molecular formula C10H17N and a molecular weight of 151.25 g/mol. Its IUPAC name is 3-butyl-3-ethylpyrrole.

Molecular Properties

Compound Name3-butyl-3-ethylpyrrole
PubChem CID90014834
Molecular FormulaC10H17N
Molecular Weight151.25 g/mol
Exact Mass151.14
IUPAC Name3-butyl-3-ethylpyrrole
SMILESCCCCC1(CC)C=CN=C1
InChIInChI=1S/C10H17N/c1-3-5-6-10(4-2)7-8-11-9-10/h7-9H,3-6H2,1-2H3
InChIKeyOGMUWATZAFWIOD-UHFFFAOYSA-N
XLogP3.17
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 ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-butyl-3-ethylpyrrole?
The IUPAC name of 3-butyl-3-ethylpyrrole (CID 90014834) is 3-butyl-3-ethylpyrrole.
What is the SMILES notation for 3-butyl-3-ethylpyrrole?
The canonical SMILES for 3-butyl-3-ethylpyrrole is CCCCC1(CC)C=CN=C1.
What is the InChIKey of 3-butyl-3-ethylpyrrole?
The InChIKey is OGMUWATZAFWIOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N/c1-3-5-6-10(4-2)7-8-11-9-10/h7-9H,3-6H2,1-2H3.
What are the key properties of 3-butyl-3-ethylpyrrole?
3-butyl-3-ethylpyrrole has a molecular weight of 151.25 g/mol, XLogP of 3.17, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butyl-3-ethylpyrrole is sourced from PubChem (CID 90014834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).