N-(1H-indol-5-yl)-5-oxopyrrolidine-2-carboxamide

C13H13N3O2 — CID 110744978

IUPACN-(1H-indol-5-yl)-5-oxopyrrolidine-2-carboxamide
SMILESO=C1CCC(C(=O)Nc2ccc3[nH]ccc3c2)N1
InChIInChI=1S/C13H13N3O2/c17-12-4-3-11(16-12)13(18)15-9-1-2-10-8(7-9)5-6-14-10/h1-2,5-7,11,14H,3-4H2,(H,15,18)(H,16,17)
InChIKeyZPUGIFYJMGLRGC-UHFFFAOYSA-N
MW243.27 g/mol
LogP1.38
Rot. Bonds2

About N-(1H-indol-5-yl)-5-oxopyrrolidine-2-carboxamide

N-(1H-indol-5-yl)-5-oxopyrrolidine-2-carboxamide (PubChem CID 110744978) has the molecular formula C13H13N3O2 and a molecular weight of 243.27 g/mol. Its IUPAC name is N-(1H-indol-5-yl)-5-oxopyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-(1H-indol-5-yl)-5-oxopyrrolidine-2-carboxamide
PubChem CID110744978
Molecular FormulaC13H13N3O2
Molecular Weight243.27 g/mol
Exact Mass243.10
IUPAC NameN-(1H-indol-5-yl)-5-oxopyrrolidine-2-carboxamide
SMILESO=C1CCC(C(=O)Nc2ccc3[nH]ccc3c2)N1
InChIInChI=1S/C13H13N3O2/c17-12-4-3-11(16-12)13(18)15-9-1-2-10-8(7-9)5-6-14-10/h1-2,5-7,11,14H,3-4H2,(H,15,18)(H,16,17)
InChIKeyZPUGIFYJMGLRGC-UHFFFAOYSA-N
XLogP1.38
TPSA73.99 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.27
LogP ≤ 51.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-N-(1H-indol-5-yl)piperidine-2-carboxamide;hydrochloride
CID 119702704
(2R)-5-oxo-N-(2-sulfanylidene-1,3-dihydrobenzimidazol-5-yl)pyrrolidine-2-carboxamide
CID 99637421
2-(1H-indol-5-ylcarbamoyl)cyclobutane-1-carboxylic acid
CID 120974701
4-hydroxy-N-(1H-indol-5-yl)pyrrolidine-2-carboxamide
CID 61250261
N-(3,4-difluorophenyl)-5-oxopyrrolidine-2-carboxamide
CID 110689759
1-acetyl-N-(1H-indol-5-yl)piperidine-4-carboxamide
CID 110744988
N-(3-chloro-4-hydroxyphenyl)-5-oxopyrrolidine-2-carboxamide
CID 64787520
N-(3-aminophenyl)-5-oxopyrrolidine-2-carboxamide
CID 110482254
N-(4-bromo-3-chlorophenyl)-5-oxopyrrolidine-2-carboxamide
CID 103824877
(2R)-N-(4-bromo-3-chlorophenyl)-5-oxopyrrolidine-2-carboxamide
CID 103824880
(2S)-N-(3-bromo-4-chlorophenyl)-5-oxopyrrolidine-2-carboxamide
CID 675422
N-(1H-indol-5-yl)piperidine-3-carboxamide
CID 61248015

Frequently Asked Questions

What is the IUPAC name of N-(1H-indol-5-yl)-5-oxopyrrolidine-2-carboxamide?
The IUPAC name of N-(1H-indol-5-yl)-5-oxopyrrolidine-2-carboxamide (CID 110744978) is N-(1H-indol-5-yl)-5-oxopyrrolidine-2-carboxamide.
What is the SMILES notation for N-(1H-indol-5-yl)-5-oxopyrrolidine-2-carboxamide?
The canonical SMILES for N-(1H-indol-5-yl)-5-oxopyrrolidine-2-carboxamide is O=C1CCC(C(=O)Nc2ccc3[nH]ccc3c2)N1.
What is the InChIKey of N-(1H-indol-5-yl)-5-oxopyrrolidine-2-carboxamide?
The InChIKey is ZPUGIFYJMGLRGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O2/c17-12-4-3-11(16-12)13(18)15-9-1-2-10-8(7-9)5-6-14-10/h1-2,5-7,11,14H,3-4H2,(H,15,18)(H,16,17).
What are the key properties of N-(1H-indol-5-yl)-5-oxopyrrolidine-2-carboxamide?
N-(1H-indol-5-yl)-5-oxopyrrolidine-2-carboxamide has a molecular weight of 243.27 g/mol, XLogP of 1.38, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-indol-5-yl)-5-oxopyrrolidine-2-carboxamide is sourced from PubChem (CID 110744978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).