1-[1-[3-[1-(2,5-dioxopyrrolidin-1-yl)-2-oxopropyl]phenyl]-2-oxopropyl]pyrrolidine-2,5-dione

C20H20N2O6 — CID 70230036

IUPAC1-[1-[3-[1-(2,5-dioxopyrrolidin-1-yl)-2-oxopropyl]phenyl]-2-oxopropyl]pyrrolidine-2,5-dione
SMILESCC(=O)C(c1cccc(C(C(C)=O)N2C(=O)CCC2=O)c1)N1C(=O)CCC1=O
InChIInChI=1S/C20H20N2O6/c1-11(23)19(21-15(25)6-7-16(21)26)13-4-3-5-14(10-13)20(12(2)24)22-17(27)8-9-18(22)28/h3-5,10,19-20H,6-9H2,1-2H3
InChIKeyPTMPFMCITKUYNP-UHFFFAOYSA-N
MW384.39 g/mol
LogP1.24
Rot. Bonds6

About 1-[1-[3-[1-(2,5-dioxopyrrolidin-1-yl)-2-oxopropyl]phenyl]-2-oxopropyl]pyrrolidine-2,5-dione

1-[1-[3-[1-(2,5-dioxopyrrolidin-1-yl)-2-oxopropyl]phenyl]-2-oxopropyl]pyrrolidine-2,5-dione (PubChem CID 70230036) has the molecular formula C20H20N2O6 and a molecular weight of 384.39 g/mol. Its IUPAC name is 1-[1-[3-[1-(2,5-dioxopyrrolidin-1-yl)-2-oxopropyl]phenyl]-2-oxopropyl]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-[1-[3-[1-(2,5-dioxopyrrolidin-1-yl)-2-oxopropyl]phenyl]-2-oxopropyl]pyrrolidine-2,5-dione
PubChem CID70230036
Molecular FormulaC20H20N2O6
Molecular Weight384.39 g/mol
Exact Mass384.13
IUPAC Name1-[1-[3-[1-(2,5-dioxopyrrolidin-1-yl)-2-oxopropyl]phenyl]-2-oxopropyl]pyrrolidine-2,5-dione
SMILESCC(=O)C(c1cccc(C(C(C)=O)N2C(=O)CCC2=O)c1)N1C(=O)CCC1=O
InChIInChI=1S/C20H20N2O6/c1-11(23)19(21-15(25)6-7-16(21)26)13-4-3-5-14(10-13)20(12(2)24)22-17(27)8-9-18(22)28/h3-5,10,19-20H,6-9H2,1-2H3
InChIKeyPTMPFMCITKUYNP-UHFFFAOYSA-N
XLogP1.24
TPSA108.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.39
LogP ≤ 51.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-[1-(3,5-dimethylphenyl)-2-oxopropyl]isoindole-1,3-dione
CID 122467290
1-[(1S)-2-hydroxy-1-phenylethyl]pyrrolidine-2,5-dione
CID 71354940
1-[(3,4-dimethylphenyl)-phenylmethyl]pyrrolidine-2,5-dione
CID 25178848
2-[(1S)-2-oxo-1-phenylpropyl]-3H-isoindol-1-one
CID 118594278
2-[2,5-dioxo-3,4-bis(phenylsulfanyl)pyrrol-1-yl]-2-(2,5-dioxopyrrolidin-1-yl)acetic acid
CID 155661409
(2S)-2-(2,5-dioxopyrrolidin-1-yl)-N-(3-fluorophenyl)propanamide
CID 17034808
tert-butyl N-[(R)-(2,5-dioxopyrrolidin-1-yl)-phenylmethyl]carbamate
CID 134961016
1-(3-acetylphenyl)pyrrolidine-2,5-dione;ethane
CID 145439444
1-(3-bromophenyl)-1-fluoropropan-2-one
CID 89296594
2-(4-acetylsulfanyl-2-oxopyrrolidin-1-yl)-2-(3-methoxyphenyl)acetic acid
CID 168704416
N-[2-(3-but-3-ynyldiazirin-3-yl)ethyl]-2-(2,5-dioxopyrrolidin-1-yl)-2-phenylacetamide
CID 167842755
[(1R)-1-[3-[(1R)-1-acetyloxyethyl]phenyl]ethyl] acetate
CID 11776874

Frequently Asked Questions

What is the IUPAC name of 1-[1-[3-[1-(2,5-dioxopyrrolidin-1-yl)-2-oxopropyl]phenyl]-2-oxopropyl]pyrrolidine-2,5-dione?
The IUPAC name of 1-[1-[3-[1-(2,5-dioxopyrrolidin-1-yl)-2-oxopropyl]phenyl]-2-oxopropyl]pyrrolidine-2,5-dione (CID 70230036) is 1-[1-[3-[1-(2,5-dioxopyrrolidin-1-yl)-2-oxopropyl]phenyl]-2-oxopropyl]pyrrolidine-2,5-dione.
What is the SMILES notation for 1-[1-[3-[1-(2,5-dioxopyrrolidin-1-yl)-2-oxopropyl]phenyl]-2-oxopropyl]pyrrolidine-2,5-dione?
The canonical SMILES for 1-[1-[3-[1-(2,5-dioxopyrrolidin-1-yl)-2-oxopropyl]phenyl]-2-oxopropyl]pyrrolidine-2,5-dione is CC(=O)C(c1cccc(C(C(C)=O)N2C(=O)CCC2=O)c1)N1C(=O)CCC1=O.
What is the InChIKey of 1-[1-[3-[1-(2,5-dioxopyrrolidin-1-yl)-2-oxopropyl]phenyl]-2-oxopropyl]pyrrolidine-2,5-dione?
The InChIKey is PTMPFMCITKUYNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O6/c1-11(23)19(21-15(25)6-7-16(21)26)13-4-3-5-14(10-13)20(12(2)24)22-17(27)8-9-18(22)28/h3-5,10,19-20H,6-9H2,1-2H3.
What are the key properties of 1-[1-[3-[1-(2,5-dioxopyrrolidin-1-yl)-2-oxopropyl]phenyl]-2-oxopropyl]pyrrolidine-2,5-dione?
1-[1-[3-[1-(2,5-dioxopyrrolidin-1-yl)-2-oxopropyl]phenyl]-2-oxopropyl]pyrrolidine-2,5-dione has a molecular weight of 384.39 g/mol, XLogP of 1.24, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[3-[1-(2,5-dioxopyrrolidin-1-yl)-2-oxopropyl]phenyl]-2-oxopropyl]pyrrolidine-2,5-dione is sourced from PubChem (CID 70230036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).