3-chloro-1-ethylpyrrole

C6H8ClN — CID 54215329

IUPAC3-chloro-1-ethylpyrrole
SMILESCCn1ccc(Cl)c1
InChIInChI=1S/C6H8ClN/c1-2-8-4-3-6(7)5-8/h3-5H,2H2,1H3
InChIKeySVEKAXKMGMLCGA-UHFFFAOYSA-N
MW129.59 g/mol
LogP2.16
Rot. Bonds1

About 3-chloro-1-ethylpyrrole

3-chloro-1-ethylpyrrole (PubChem CID 54215329) has the molecular formula C6H8ClN and a molecular weight of 129.59 g/mol. Its IUPAC name is 3-chloro-1-ethylpyrrole.

Molecular Properties

Compound Name3-chloro-1-ethylpyrrole
PubChem CID54215329
Molecular FormulaC6H8ClN
Molecular Weight129.59 g/mol
Exact Mass129.03
IUPAC Name3-chloro-1-ethylpyrrole
SMILESCCn1ccc(Cl)c1
InChIInChI=1S/C6H8ClN/c1-2-8-4-3-6(7)5-8/h3-5H,2H2,1H3
InChIKeySVEKAXKMGMLCGA-UHFFFAOYSA-N
XLogP2.16
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.59
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 3-chloro-1-ethylpyrrole 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

3-chloro-1-(ethoxymethyl)pyrrole
CID 18957152
5-chloro-N-[(1-ethylpyrrol-3-yl)methyl]-2-fluoroaniline
CID 66397354
1-ethyl-3-prop-1-en-2-ylpyrrole
CID 167303809
1-(1-ethylpyrrol-3-yl)ethanol
CID 79107280
2-bromo-5-chloro-N-[(1-ethylpyrrol-3-yl)methyl]aniline
CID 81263251
3-dodecyl-1-ethylpyrrole
CID 66960014
ethane;1-ethyl-3-hydroxypyridin-4-one
CID 168951321
5-ethylpyrrolo[3,2-c]pyridine
CID 142486422
1-ethyl-3-isocyanatopyrrole
CID 45087656
3-ethyl-N-[(1-ethylpyrrol-3-yl)methyl]pentan-2-amine
CID 66413834
N-[(1-ethylpyrrol-3-yl)methyl]pyrrol-1-amine
CID 79091051
N-ethoxy-1-(1-ethylpyrrol-3-yl)methanamine
CID 82706620

Frequently Asked Questions

What is the IUPAC name of 3-chloro-1-ethylpyrrole?
The IUPAC name of 3-chloro-1-ethylpyrrole (CID 54215329) is 3-chloro-1-ethylpyrrole.
What is the SMILES notation for 3-chloro-1-ethylpyrrole?
The canonical SMILES for 3-chloro-1-ethylpyrrole is CCn1ccc(Cl)c1.
What is the InChIKey of 3-chloro-1-ethylpyrrole?
The InChIKey is SVEKAXKMGMLCGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8ClN/c1-2-8-4-3-6(7)5-8/h3-5H,2H2,1H3.
What are the key properties of 3-chloro-1-ethylpyrrole?
3-chloro-1-ethylpyrrole has a molecular weight of 129.59 g/mol, XLogP of 2.16, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-1-ethylpyrrole is sourced from PubChem (CID 54215329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).