3,4-diethyl-5-methyl-2H-pyrrole

C9H15N — CID 174396277

IUPAC3,4-diethyl-5-methyl-2H-pyrrole
SMILESCCC1=C(CC)C(C)=NC1
InChIInChI=1S/C9H15N/c1-4-8-6-10-7(3)9(8)5-2/h4-6H2,1-3H3
InChIKeyPLZQLUTZWLIZSS-UHFFFAOYSA-N
MW137.23 g/mol
LogP2.58
Rot. Bonds2

About 3,4-diethyl-5-methyl-2H-pyrrole

3,4-diethyl-5-methyl-2H-pyrrole (PubChem CID 174396277) has the molecular formula C9H15N and a molecular weight of 137.23 g/mol. Its IUPAC name is 3,4-diethyl-5-methyl-2H-pyrrole.

Molecular Properties

Compound Name3,4-diethyl-5-methyl-2H-pyrrole
PubChem CID174396277
Molecular FormulaC9H15N
Molecular Weight137.23 g/mol
Exact Mass137.12
IUPAC Name3,4-diethyl-5-methyl-2H-pyrrole
SMILESCCC1=C(CC)C(C)=NC1
InChIInChI=1S/C9H15N/c1-4-8-6-10-7(3)9(8)5-2/h4-6H2,1-3H3
InChIKeyPLZQLUTZWLIZSS-UHFFFAOYSA-N
XLogP2.58
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.23
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3,4-diethyl-5-methyl-2H-pyrrole?
The IUPAC name of 3,4-diethyl-5-methyl-2H-pyrrole (CID 174396277) is 3,4-diethyl-5-methyl-2H-pyrrole.
What is the SMILES notation for 3,4-diethyl-5-methyl-2H-pyrrole?
The canonical SMILES for 3,4-diethyl-5-methyl-2H-pyrrole is CCC1=C(CC)C(C)=NC1.
What is the InChIKey of 3,4-diethyl-5-methyl-2H-pyrrole?
The InChIKey is PLZQLUTZWLIZSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N/c1-4-8-6-10-7(3)9(8)5-2/h4-6H2,1-3H3.
What are the key properties of 3,4-diethyl-5-methyl-2H-pyrrole?
3,4-diethyl-5-methyl-2H-pyrrole has a molecular weight of 137.23 g/mol, XLogP of 2.58, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-diethyl-5-methyl-2H-pyrrole is sourced from PubChem (CID 174396277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).