2-[3-(2-methyl-5-oxopyrrolidin-1-yl)phenyl]isoindole-1,3-dione

C19H16N2O3 — CID 168516358

IUPAC2-[3-(2-methyl-5-oxopyrrolidin-1-yl)phenyl]isoindole-1,3-dione
SMILESCC1CCC(=O)N1c1cccc(N2C(=O)c3ccccc3C2=O)c1
InChIInChI=1S/C19H16N2O3/c1-12-9-10-17(22)20(12)13-5-4-6-14(11-13)21-18(23)15-7-2-3-8-16(15)19(21)24/h2-8,11-12H,9-10H2,1H3
InChIKeySGHZZVFYJJHGCD-UHFFFAOYSA-N
MW320.35 g/mol
LogP3.00
Rot. Bonds2

About 2-[3-(2-methyl-5-oxopyrrolidin-1-yl)phenyl]isoindole-1,3-dione

2-[3-(2-methyl-5-oxopyrrolidin-1-yl)phenyl]isoindole-1,3-dione (PubChem CID 168516358) has the molecular formula C19H16N2O3 and a molecular weight of 320.35 g/mol. Its IUPAC name is 2-[3-(2-methyl-5-oxopyrrolidin-1-yl)phenyl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[3-(2-methyl-5-oxopyrrolidin-1-yl)phenyl]isoindole-1,3-dione
PubChem CID168516358
Molecular FormulaC19H16N2O3
Molecular Weight320.35 g/mol
Exact Mass320.12
IUPAC Name2-[3-(2-methyl-5-oxopyrrolidin-1-yl)phenyl]isoindole-1,3-dione
SMILESCC1CCC(=O)N1c1cccc(N2C(=O)c3ccccc3C2=O)c1
InChIInChI=1S/C19H16N2O3/c1-12-9-10-17(22)20(12)13-5-4-6-14(11-13)21-18(23)15-7-2-3-8-16(15)19(21)24/h2-8,11-12H,9-10H2,1H3
InChIKeySGHZZVFYJJHGCD-UHFFFAOYSA-N
XLogP3.00
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.35
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

[3-(1,3-dioxoisoindol-2-yl)phenyl] cyclopropanecarboxylate
CID 19205362
2-[3-(4-methylpiperidine-1-carbonyl)phenyl]isoindole-1,3-dione
CID 4266311
1-(3-chloro-4-fluorophenyl)-5-methylpyrrolidin-2-one
CID 91070786
1-(4-tert-butylphenyl)-5-methylpyrrolidin-2-one
CID 70667423
2-methyl-N-[3-(2-methyl-5-oxopyrrolidin-1-yl)phenyl]-2-pyrrol-1-ylpropanamide
CID 131914007
2-[3-[[3-(1,3-dioxoisoindol-2-yl)phenyl]disulfanyl]phenyl]isoindole-1,3-dione
CID 91745874
2-[3-(2-oxopiperazin-1-yl)phenyl]isoindole-1,3-dione
CID 168518984
2-[3-(1,3-dithiolan-2-yl)phenyl]isoindole-1,3-dione
CID 168516264
[2-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl] 3-(1,3-dioxoisoindol-2-yl)benzoate
CID 2540577
2-(3-phenoxyphenyl)isoindole-1,3-dione
CID 3091542
2-[3-(3,4-dichlorophenyl)phenyl]isoindole-1,3-dione
CID 168517614
2-[4-(4-methylpiperidin-1-yl)phenyl]isoindole-1,3-dione
CID 168518107

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-methyl-5-oxopyrrolidin-1-yl)phenyl]isoindole-1,3-dione?
The IUPAC name of 2-[3-(2-methyl-5-oxopyrrolidin-1-yl)phenyl]isoindole-1,3-dione (CID 168516358) is 2-[3-(2-methyl-5-oxopyrrolidin-1-yl)phenyl]isoindole-1,3-dione.
What is the SMILES notation for 2-[3-(2-methyl-5-oxopyrrolidin-1-yl)phenyl]isoindole-1,3-dione?
The canonical SMILES for 2-[3-(2-methyl-5-oxopyrrolidin-1-yl)phenyl]isoindole-1,3-dione is CC1CCC(=O)N1c1cccc(N2C(=O)c3ccccc3C2=O)c1.
What is the InChIKey of 2-[3-(2-methyl-5-oxopyrrolidin-1-yl)phenyl]isoindole-1,3-dione?
The InChIKey is SGHZZVFYJJHGCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2O3/c1-12-9-10-17(22)20(12)13-5-4-6-14(11-13)21-18(23)15-7-2-3-8-16(15)19(21)24/h2-8,11-12H,9-10H2,1H3.
What are the key properties of 2-[3-(2-methyl-5-oxopyrrolidin-1-yl)phenyl]isoindole-1,3-dione?
2-[3-(2-methyl-5-oxopyrrolidin-1-yl)phenyl]isoindole-1,3-dione has a molecular weight of 320.35 g/mol, XLogP of 3.00, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-methyl-5-oxopyrrolidin-1-yl)phenyl]isoindole-1,3-dione is sourced from PubChem (CID 168516358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).