4-ethyl-1-propyl-2,3-dihydropyrrole;hydrochloride

C9H18ClN — CID 175583599

IUPAC4-ethyl-1-propyl-2,3-dihydropyrrole;hydrochloride
SMILESCCCN1C=C(CC)CC1.Cl
InChIInChI=1S/C9H17N.ClH/c1-3-6-10-7-5-9(4-2)8-10;/h8H,3-7H2,1-2H3;1H
InChIKeyWXJQECYMUHTRAK-UHFFFAOYSA-N
MW175.70 g/mol
LogP2.82
Rot. Bonds3

About 4-ethyl-1-propyl-2,3-dihydropyrrole;hydrochloride

4-ethyl-1-propyl-2,3-dihydropyrrole;hydrochloride (PubChem CID 175583599) has the molecular formula C9H18ClN and a molecular weight of 175.70 g/mol. Its IUPAC name is 4-ethyl-1-propyl-2,3-dihydropyrrole;hydrochloride.

Molecular Properties

Compound Name4-ethyl-1-propyl-2,3-dihydropyrrole;hydrochloride
PubChem CID175583599
Molecular FormulaC9H18ClN
Molecular Weight175.70 g/mol
Exact Mass175.11
IUPAC Name4-ethyl-1-propyl-2,3-dihydropyrrole;hydrochloride
SMILESCCCN1C=C(CC)CC1.Cl
InChIInChI=1S/C9H17N.ClH/c1-3-6-10-7-5-9(4-2)8-10;/h8H,3-7H2,1-2H3;1H
InChIKeyWXJQECYMUHTRAK-UHFFFAOYSA-N
XLogP2.82
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.70
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 4-ethyl-1-propyl-2,3-dihydropyrrole;hydrochloride 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 4-ethyl-1-propyl-2,3-dihydropyrrole;hydrochloride?
The IUPAC name of 4-ethyl-1-propyl-2,3-dihydropyrrole;hydrochloride (CID 175583599) is 4-ethyl-1-propyl-2,3-dihydropyrrole;hydrochloride.
What is the SMILES notation for 4-ethyl-1-propyl-2,3-dihydropyrrole;hydrochloride?
The canonical SMILES for 4-ethyl-1-propyl-2,3-dihydropyrrole;hydrochloride is CCCN1C=C(CC)CC1.Cl.
What is the InChIKey of 4-ethyl-1-propyl-2,3-dihydropyrrole;hydrochloride?
The InChIKey is WXJQECYMUHTRAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N.ClH/c1-3-6-10-7-5-9(4-2)8-10;/h8H,3-7H2,1-2H3;1H.
What are the key properties of 4-ethyl-1-propyl-2,3-dihydropyrrole;hydrochloride?
4-ethyl-1-propyl-2,3-dihydropyrrole;hydrochloride has a molecular weight of 175.70 g/mol, XLogP of 2.82, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-1-propyl-2,3-dihydropyrrole;hydrochloride is sourced from PubChem (CID 175583599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).