3,3-diethylpyrrole

C8H13N — CID 57129957

IUPAC3,3-diethylpyrrole
SMILESCCC1(CC)C=CN=C1
InChIInChI=1S/C8H13N/c1-3-8(4-2)5-6-9-7-8/h5-7H,3-4H2,1-2H3
InChIKeyUYZVZMDLLWETBT-UHFFFAOYSA-N
MW123.20 g/mol
LogP2.39
Rot. Bonds2

About 3,3-diethylpyrrole

3,3-diethylpyrrole (PubChem CID 57129957) has the molecular formula C8H13N and a molecular weight of 123.20 g/mol. Its IUPAC name is 3,3-diethylpyrrole.

Molecular Properties

Compound Name3,3-diethylpyrrole
PubChem CID57129957
Molecular FormulaC8H13N
Molecular Weight123.20 g/mol
Exact Mass123.10
IUPAC Name3,3-diethylpyrrole
SMILESCCC1(CC)C=CN=C1
InChIInChI=1S/C8H13N/c1-3-8(4-2)5-6-9-7-8/h5-7H,3-4H2,1-2H3
InChIKeyUYZVZMDLLWETBT-UHFFFAOYSA-N
XLogP2.39
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500123.20
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3,3-diethylpyrrole?
The IUPAC name of 3,3-diethylpyrrole (CID 57129957) is 3,3-diethylpyrrole.
What is the SMILES notation for 3,3-diethylpyrrole?
The canonical SMILES for 3,3-diethylpyrrole is CCC1(CC)C=CN=C1.
What is the InChIKey of 3,3-diethylpyrrole?
The InChIKey is UYZVZMDLLWETBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N/c1-3-8(4-2)5-6-9-7-8/h5-7H,3-4H2,1-2H3.
What are the key properties of 3,3-diethylpyrrole?
3,3-diethylpyrrole has a molecular weight of 123.20 g/mol, XLogP of 2.39, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-diethylpyrrole is sourced from PubChem (CID 57129957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).