2,3-diethyl-2H-pyrrole

C8H13N — CID 142363663

IUPAC2,3-diethyl-2H-pyrrole
SMILESCCC1=CC=NC1CC
InChIInChI=1S/C8H13N/c1-3-7-5-6-9-8(7)4-2/h5-6,8H,3-4H2,1-2H3
InChIKeyGIAWLQRWFPIMQF-UHFFFAOYSA-N
MW123.20 g/mol
LogP2.19
Rot. Bonds2

About 2,3-diethyl-2H-pyrrole

2,3-diethyl-2H-pyrrole (PubChem CID 142363663) has the molecular formula C8H13N and a molecular weight of 123.20 g/mol. Its IUPAC name is 2,3-diethyl-2H-pyrrole.

Molecular Properties

Compound Name2,3-diethyl-2H-pyrrole
PubChem CID142363663
Molecular FormulaC8H13N
Molecular Weight123.20 g/mol
Exact Mass123.10
IUPAC Name2,3-diethyl-2H-pyrrole
SMILESCCC1=CC=NC1CC
InChIInChI=1S/C8H13N/c1-3-7-5-6-9-8(7)4-2/h5-6,8H,3-4H2,1-2H3
InChIKeyGIAWLQRWFPIMQF-UHFFFAOYSA-N
XLogP2.19
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 ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 2,3-diethyl-2H-pyrrole with MolForge

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

Launch Full Analysis

Related Compounds

2-Propyl-2,3-dihydropyridine
CID 68521817
2,3-dimethyl-2H-pyrrole
CID 14938985
2,4-Dimethyl-2,3-dihydropyridine
CID 53803640
2,3,4-Trimethyl-2,3-dihydropyridine
CID 53836102
2-Methyl-2-propylpyrrole
CID 57216634
2,3-Diethyl-2,5-dihydropyridine
CID 57226784
2-[(E)-2,3-dimethylbut-1-enyl]-4-methyl-2,3-dihydropyridine
CID 59887795
(2E)-N-butyl-3,7-dimethylocta-2,6-dien-1-imine
CID 60138467
3-ethyl-2H-pyrrole
CID 68027600
(3S)-2,3,4-trimethyl-2,3-dihydropyridine
CID 68030579
2-Ethyl-4,6-dimethyl-2,3-dihydropyridine
CID 68383572
2-Prop-1-en-2-yl-2,3-dihydropyridine
CID 70308527

Frequently Asked Questions

What is the IUPAC name of 2,3-diethyl-2H-pyrrole?
The IUPAC name of 2,3-diethyl-2H-pyrrole (CID 142363663) is 2,3-diethyl-2H-pyrrole.
What is the SMILES notation for 2,3-diethyl-2H-pyrrole?
The canonical SMILES for 2,3-diethyl-2H-pyrrole is CCC1=CC=NC1CC.
What is the InChIKey of 2,3-diethyl-2H-pyrrole?
The InChIKey is GIAWLQRWFPIMQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N/c1-3-7-5-6-9-8(7)4-2/h5-6,8H,3-4H2,1-2H3.
What are the key properties of 2,3-diethyl-2H-pyrrole?
2,3-diethyl-2H-pyrrole has a molecular weight of 123.20 g/mol, XLogP of 2.19, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-diethyl-2H-pyrrole is sourced from PubChem (CID 142363663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).