1-ethyl-5-oxo-N-(2-pyrrol-1-ylethyl)pyrrolidine-3-carboxamide

C13H19N3O2 — CID 71980030

IUPAC1-ethyl-5-oxo-N-(2-pyrrol-1-ylethyl)pyrrolidine-3-carboxamide
SMILESCCN1CC(C(=O)NCCn2cccc2)CC1=O
InChIInChI=1S/C13H19N3O2/c1-2-16-10-11(9-12(16)17)13(18)14-5-8-15-6-3-4-7-15/h3-4,6-7,11H,2,5,8-10H2,1H3,(H,14,18)
InChIKeySRLPGFLXHSJQLG-UHFFFAOYSA-N
MW249.31 g/mol
LogP0.47
Rot. Bonds5

About 1-ethyl-5-oxo-N-(2-pyrrol-1-ylethyl)pyrrolidine-3-carboxamide

1-ethyl-5-oxo-N-(2-pyrrol-1-ylethyl)pyrrolidine-3-carboxamide (PubChem CID 71980030) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is 1-ethyl-5-oxo-N-(2-pyrrol-1-ylethyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-ethyl-5-oxo-N-(2-pyrrol-1-ylethyl)pyrrolidine-3-carboxamide
PubChem CID71980030
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC Name1-ethyl-5-oxo-N-(2-pyrrol-1-ylethyl)pyrrolidine-3-carboxamide
SMILESCCN1CC(C(=O)NCCn2cccc2)CC1=O
InChIInChI=1S/C13H19N3O2/c1-2-16-10-11(9-12(16)17)13(18)14-5-8-15-6-3-4-7-15/h3-4,6-7,11H,2,5,8-10H2,1H3,(H,14,18)
InChIKeySRLPGFLXHSJQLG-UHFFFAOYSA-N
XLogP0.47
TPSA54.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 50.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-(2-oxo-4-pyrrol-1-ylpyrrolidin-1-yl)butanamide
CID 9834598
(2S)-2-[4-(2-bromopyrrol-1-yl)-2-oxopyrrolidin-1-yl]butanamide
CID 9836475
1-isopropyl-4-({4-[2-(1H-pyrrol-1-yl)ethyl]-1-piperazinyl}carbonyl)-2-pyrrolidinone
CID 70713159
1-cyclopentyl-4-({4-[2-(1H-pyrrol-1-yl)ethyl]-1-piperazinyl}carbonyl)-2-pyrrolidinone
CID 70726233
1-tert-butyl-4-({4-[2-(1H-pyrrol-1-yl)ethyl]-1-piperazinyl}carbonyl)-2-pyrrolidinone
CID 70780485
1-cyclopropyl-4-({4-[2-(1H-pyrrol-1-yl)ethyl]-1-piperazinyl}carbonyl)-2-pyrrolidinone
CID 70787307
1-cyclopentyl-N-[2-(1H-pyrrol-1-yl)ethyl]-3-piperidinecarboxamide
CID 72869374
1-ethyl-4-({4-[2-(1H-pyrrol-1-yl)ethyl]-1-piperazinyl}carbonyl)-2-pyrrolidinone
CID 72891432
1-cyclopentyl-6-oxo-N-[2-(1H-pyrrol-1-yl)ethyl]-3-piperidinecarboxamide
CID 72909181
1-ethyl-6-oxo-N-[2-(1H-pyrrol-1-yl)ethyl]-3-piperidinecarboxamide
CID 72936372
N-[3-(2-pyrrol-1-ylethylcarbamoylamino)propyl]cyclobutanecarboxamide
CID 75377741
N-[2-(1-azepanyl)ethyl]-3-(1H-pyrrol-1-yl)propanamide
CID 45106881

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-5-oxo-N-(2-pyrrol-1-ylethyl)pyrrolidine-3-carboxamide?
The IUPAC name of 1-ethyl-5-oxo-N-(2-pyrrol-1-ylethyl)pyrrolidine-3-carboxamide (CID 71980030) is 1-ethyl-5-oxo-N-(2-pyrrol-1-ylethyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for 1-ethyl-5-oxo-N-(2-pyrrol-1-ylethyl)pyrrolidine-3-carboxamide?
The canonical SMILES for 1-ethyl-5-oxo-N-(2-pyrrol-1-ylethyl)pyrrolidine-3-carboxamide is CCN1CC(C(=O)NCCn2cccc2)CC1=O.
What is the InChIKey of 1-ethyl-5-oxo-N-(2-pyrrol-1-ylethyl)pyrrolidine-3-carboxamide?
The InChIKey is SRLPGFLXHSJQLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2/c1-2-16-10-11(9-12(16)17)13(18)14-5-8-15-6-3-4-7-15/h3-4,6-7,11H,2,5,8-10H2,1H3,(H,14,18).
What are the key properties of 1-ethyl-5-oxo-N-(2-pyrrol-1-ylethyl)pyrrolidine-3-carboxamide?
1-ethyl-5-oxo-N-(2-pyrrol-1-ylethyl)pyrrolidine-3-carboxamide has a molecular weight of 249.31 g/mol, XLogP of 0.47, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-5-oxo-N-(2-pyrrol-1-ylethyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 71980030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).