2-[3-[1-(ethylamino)ethyl]pyrrol-1-yl]-1-pyrrolidin-1-ylethanone

C14H23N3O — CID 79098356

IUPAC2-[3-[1-(ethylamino)ethyl]pyrrol-1-yl]-1-pyrrolidin-1-ylethanone
SMILESCCNC(C)c1ccn(CC(=O)N2CCCC2)c1
InChIInChI=1S/C14H23N3O/c1-3-15-12(2)13-6-9-16(10-13)11-14(18)17-7-4-5-8-17/h6,9-10,12,15H,3-5,7-8,11H2,1-2H3
InChIKeyPWFUXNIIAUZWPT-UHFFFAOYSA-N
MW249.36 g/mol
LogP1.78
Rot. Bonds5

About 2-[3-[1-(ethylamino)ethyl]pyrrol-1-yl]-1-pyrrolidin-1-ylethanone

2-[3-[1-(ethylamino)ethyl]pyrrol-1-yl]-1-pyrrolidin-1-ylethanone (PubChem CID 79098356) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is 2-[3-[1-(ethylamino)ethyl]pyrrol-1-yl]-1-pyrrolidin-1-ylethanone.

Molecular Properties

Compound Name2-[3-[1-(ethylamino)ethyl]pyrrol-1-yl]-1-pyrrolidin-1-ylethanone
PubChem CID79098356
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC Name2-[3-[1-(ethylamino)ethyl]pyrrol-1-yl]-1-pyrrolidin-1-ylethanone
SMILESCCNC(C)c1ccn(CC(=O)N2CCCC2)c1
InChIInChI=1S/C14H23N3O/c1-3-15-12(2)13-6-9-16(10-13)11-14(18)17-7-4-5-8-17/h6,9-10,12,15H,3-5,7-8,11H2,1-2H3
InChIKeyPWFUXNIIAUZWPT-UHFFFAOYSA-N
XLogP1.78
TPSA37.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[3-[1-(ethylamino)ethyl]pyrrol-1-yl]-1-pyrrolidin-1-ylethanone 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 2-[3-[1-(ethylamino)ethyl]pyrrol-1-yl]-1-pyrrolidin-1-ylethanone?
The IUPAC name of 2-[3-[1-(ethylamino)ethyl]pyrrol-1-yl]-1-pyrrolidin-1-ylethanone (CID 79098356) is 2-[3-[1-(ethylamino)ethyl]pyrrol-1-yl]-1-pyrrolidin-1-ylethanone.
What is the SMILES notation for 2-[3-[1-(ethylamino)ethyl]pyrrol-1-yl]-1-pyrrolidin-1-ylethanone?
The canonical SMILES for 2-[3-[1-(ethylamino)ethyl]pyrrol-1-yl]-1-pyrrolidin-1-ylethanone is CCNC(C)c1ccn(CC(=O)N2CCCC2)c1.
What is the InChIKey of 2-[3-[1-(ethylamino)ethyl]pyrrol-1-yl]-1-pyrrolidin-1-ylethanone?
The InChIKey is PWFUXNIIAUZWPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O/c1-3-15-12(2)13-6-9-16(10-13)11-14(18)17-7-4-5-8-17/h6,9-10,12,15H,3-5,7-8,11H2,1-2H3.
What are the key properties of 2-[3-[1-(ethylamino)ethyl]pyrrol-1-yl]-1-pyrrolidin-1-ylethanone?
2-[3-[1-(ethylamino)ethyl]pyrrol-1-yl]-1-pyrrolidin-1-ylethanone has a molecular weight of 249.36 g/mol, XLogP of 1.78, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[1-(ethylamino)ethyl]pyrrol-1-yl]-1-pyrrolidin-1-ylethanone is sourced from PubChem (CID 79098356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).