5-oxo-1-(1-oxo-2,3-dihydroisoindol-5-yl)pyrrolidine-3-carboxamide

C13H13N3O3 — CID 168697772

IUPAC5-oxo-1-(1-oxo-2,3-dihydroisoindol-5-yl)pyrrolidine-3-carboxamide
SMILESNC(=O)C1CC(=O)N(c2ccc3c(c2)CNC3=O)C1
InChIInChI=1S/C13H13N3O3/c14-12(18)8-4-11(17)16(6-8)9-1-2-10-7(3-9)5-15-13(10)19/h1-3,8H,4-6H2,(H2,14,18)(H,15,19)
InChIKeyORYJHFSTMAKGIT-UHFFFAOYSA-N
MW259.26 g/mol
LogP-0.23
Rot. Bonds2

About 5-oxo-1-(1-oxo-2,3-dihydroisoindol-5-yl)pyrrolidine-3-carboxamide

5-oxo-1-(1-oxo-2,3-dihydroisoindol-5-yl)pyrrolidine-3-carboxamide (PubChem CID 168697772) has the molecular formula C13H13N3O3 and a molecular weight of 259.26 g/mol. Its IUPAC name is 5-oxo-1-(1-oxo-2,3-dihydroisoindol-5-yl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name5-oxo-1-(1-oxo-2,3-dihydroisoindol-5-yl)pyrrolidine-3-carboxamide
PubChem CID168697772
Molecular FormulaC13H13N3O3
Molecular Weight259.26 g/mol
Exact Mass259.10
IUPAC Name5-oxo-1-(1-oxo-2,3-dihydroisoindol-5-yl)pyrrolidine-3-carboxamide
SMILESNC(=O)C1CC(=O)N(c2ccc3c(c2)CNC3=O)C1
InChIInChI=1S/C13H13N3O3/c14-12(18)8-4-11(17)16(6-8)9-1-2-10-7(3-9)5-15-13(10)19/h1-3,8H,4-6H2,(H2,14,18)(H,15,19)
InChIKeyORYJHFSTMAKGIT-UHFFFAOYSA-N
XLogP-0.23
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.26
LogP ≤ 5-0.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-oxo-1-(3-oxo-1,2-dihydroisoindol-5-yl)pyrrolidine-3-carboxylic acid
CID 168692115
5-[4-(aminomethyl)-2-oxopyrrolidin-1-yl]-2,3-dihydroisoindol-1-one
CID 168660659
(3S)-1-[3-[(4R)-4-carbamoyl-2-oxopyrrolidin-1-yl]phenyl]-5-oxopyrrolidine-3-carboxamide
CID 94076238
1-(4-aminophenyl)-5-oxopyrrolidine-3-carboxamide
CID 168697847
1-(3-amino-4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 50874085
(3R)-1-(3-aminophenyl)-5-oxopyrrolidine-3-carboxamide
CID 94076150
5-oxo-1-(2-oxo-3,4-dihydro-1H-quinolin-7-yl)pyrrolidine-3-carboxamide
CID 168698309
(3R)-1-(3-chloro-4-piperidin-1-ylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 94077492
1-(3-fluoro-4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 168696566
(3R)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 704642
6-(4-carbamoyl-2-oxopyrrolidin-1-yl)naphthalene-2-carboxylic acid
CID 168698344
1-(4-bromo-3-chlorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 168697775

Frequently Asked Questions

What is the IUPAC name of 5-oxo-1-(1-oxo-2,3-dihydroisoindol-5-yl)pyrrolidine-3-carboxamide?
The IUPAC name of 5-oxo-1-(1-oxo-2,3-dihydroisoindol-5-yl)pyrrolidine-3-carboxamide (CID 168697772) is 5-oxo-1-(1-oxo-2,3-dihydroisoindol-5-yl)pyrrolidine-3-carboxamide.
What is the SMILES notation for 5-oxo-1-(1-oxo-2,3-dihydroisoindol-5-yl)pyrrolidine-3-carboxamide?
The canonical SMILES for 5-oxo-1-(1-oxo-2,3-dihydroisoindol-5-yl)pyrrolidine-3-carboxamide is NC(=O)C1CC(=O)N(c2ccc3c(c2)CNC3=O)C1.
What is the InChIKey of 5-oxo-1-(1-oxo-2,3-dihydroisoindol-5-yl)pyrrolidine-3-carboxamide?
The InChIKey is ORYJHFSTMAKGIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O3/c14-12(18)8-4-11(17)16(6-8)9-1-2-10-7(3-9)5-15-13(10)19/h1-3,8H,4-6H2,(H2,14,18)(H,15,19).
What are the key properties of 5-oxo-1-(1-oxo-2,3-dihydroisoindol-5-yl)pyrrolidine-3-carboxamide?
5-oxo-1-(1-oxo-2,3-dihydroisoindol-5-yl)pyrrolidine-3-carboxamide has a molecular weight of 259.26 g/mol, XLogP of -0.23, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-oxo-1-(1-oxo-2,3-dihydroisoindol-5-yl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 168697772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).