4-oxo-N-(2-pyrrol-1-ylethyl)pentanamide

C11H16N2O2 — CID 103846233

IUPAC4-oxo-N-(2-pyrrol-1-ylethyl)pentanamide
SMILESCC(=O)CCC(=O)NCCn1cccc1
InChIInChI=1S/C11H16N2O2/c1-10(14)4-5-11(15)12-6-9-13-7-2-3-8-13/h2-3,7-8H,4-6,9H2,1H3,(H,12,15)
InChIKeyWQMXEPVQIIVFMZ-UHFFFAOYSA-N
MW208.26 g/mol
LogP0.97
Rot. Bonds6

About 4-oxo-N-(2-pyrrol-1-ylethyl)pentanamide

4-oxo-N-(2-pyrrol-1-ylethyl)pentanamide (PubChem CID 103846233) has the molecular formula C11H16N2O2 and a molecular weight of 208.26 g/mol. Its IUPAC name is 4-oxo-N-(2-pyrrol-1-ylethyl)pentanamide.

Molecular Properties

Compound Name4-oxo-N-(2-pyrrol-1-ylethyl)pentanamide
PubChem CID103846233
Molecular FormulaC11H16N2O2
Molecular Weight208.26 g/mol
Exact Mass208.12
IUPAC Name4-oxo-N-(2-pyrrol-1-ylethyl)pentanamide
SMILESCC(=O)CCC(=O)NCCn1cccc1
InChIInChI=1S/C11H16N2O2/c1-10(14)4-5-11(15)12-6-9-13-7-2-3-8-13/h2-3,7-8H,4-6,9H2,1H3,(H,12,15)
InChIKeyWQMXEPVQIIVFMZ-UHFFFAOYSA-N
XLogP0.97
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-cycloheptyl-2-(1H-pyrrol-1-yl)acetamide
CID 3239634
(2S)-2-(2-oxo-4-pyrrol-1-ylpyrrolidin-1-yl)butanamide
CID 9834598
1-ethyl-5-oxo-N-[2-(1H-pyrrol-1-yl)ethyl]-3-pyrrolidinecarboxamide
CID 71980030
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
1-Pyrrol-1-ylbutane-1,3-dione
CID 12398117
N-(3-(1H-pyrrol-1-yl)propyl)acetamide
CID 57561805
2-[methyl(propan-2-yl)amino]-N-(2-pyrrol-1-ylethyl)acetamide
CID 71980029
1-methyl-6-oxo-N-(2-pyrrol-1-ylethyl)-4,5-dihydropyridazine-3-carboxamide
CID 71980542
1-ethyl-3-methyl-N-[2-(1H-pyrrol-1-yl)ethyl]-3-piperidinecarboxamide
CID 72845943
2-(1-ethyl-4-piperidinyl)-N-[2-(1H-pyrrol-1-yl)ethyl]acetamide
CID 72877977

Frequently Asked Questions

What is the IUPAC name of 4-oxo-N-(2-pyrrol-1-ylethyl)pentanamide?
The IUPAC name of 4-oxo-N-(2-pyrrol-1-ylethyl)pentanamide (CID 103846233) is 4-oxo-N-(2-pyrrol-1-ylethyl)pentanamide.
What is the SMILES notation for 4-oxo-N-(2-pyrrol-1-ylethyl)pentanamide?
The canonical SMILES for 4-oxo-N-(2-pyrrol-1-ylethyl)pentanamide is CC(=O)CCC(=O)NCCn1cccc1.
What is the InChIKey of 4-oxo-N-(2-pyrrol-1-ylethyl)pentanamide?
The InChIKey is WQMXEPVQIIVFMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2/c1-10(14)4-5-11(15)12-6-9-13-7-2-3-8-13/h2-3,7-8H,4-6,9H2,1H3,(H,12,15).
What are the key properties of 4-oxo-N-(2-pyrrol-1-ylethyl)pentanamide?
4-oxo-N-(2-pyrrol-1-ylethyl)pentanamide has a molecular weight of 208.26 g/mol, XLogP of 0.97, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxo-N-(2-pyrrol-1-ylethyl)pentanamide is sourced from PubChem (CID 103846233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).