3,4-diethyl-1H-pyrrole

C8H13N — CID 10909563

IUPAC3,4-diethyl-1H-pyrrole
SMILESCCc1c[nH]cc1CC
InChIInChI=1S/C8H13N/c1-3-7-5-9-6-8(7)4-2/h5-6,9H,3-4H2,1-2H3
InChIKeyXMYRJQYUMXCUNX-UHFFFAOYSA-N
MW123.20 g/mol
LogP2.14
Rot. Bonds2

About 3,4-diethyl-1H-pyrrole

3,4-diethyl-1H-pyrrole (PubChem CID 10909563) has the molecular formula C8H13N and a molecular weight of 123.20 g/mol. Its IUPAC name is 3,4-diethyl-1H-pyrrole.

Molecular Properties

Compound Name3,4-diethyl-1H-pyrrole
PubChem CID10909563
Molecular FormulaC8H13N
Molecular Weight123.20 g/mol
Exact Mass123.10
IUPAC Name3,4-diethyl-1H-pyrrole
SMILESCCc1c[nH]cc1CC
InChIInChI=1S/C8H13N/c1-3-7-5-9-6-8(7)4-2/h5-6,9H,3-4H2,1-2H3
InChIKeyXMYRJQYUMXCUNX-UHFFFAOYSA-N
XLogP2.14
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500123.20
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

Analyze 3,4-diethyl-1H-pyrrole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3,4-diethyl-1H-pyrrole?
The IUPAC name of 3,4-diethyl-1H-pyrrole (CID 10909563) is 3,4-diethyl-1H-pyrrole.
What is the SMILES notation for 3,4-diethyl-1H-pyrrole?
The canonical SMILES for 3,4-diethyl-1H-pyrrole is CCc1c[nH]cc1CC.
What is the InChIKey of 3,4-diethyl-1H-pyrrole?
The InChIKey is XMYRJQYUMXCUNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N/c1-3-7-5-9-6-8(7)4-2/h5-6,9H,3-4H2,1-2H3.
What are the key properties of 3,4-diethyl-1H-pyrrole?
3,4-diethyl-1H-pyrrole has a molecular weight of 123.20 g/mol, XLogP of 2.14, 2 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-diethyl-1H-pyrrole is sourced from PubChem (CID 10909563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).