3-(3,4-dichlorophenyl)-3-(2-methoxyethyl)pyrrolidine-2,5-dione

C13H13Cl2NO3 — CID 71024670

IUPAC3-(3,4-dichlorophenyl)-3-(2-methoxyethyl)pyrrolidine-2,5-dione
SMILESCOCCC1(c2ccc(Cl)c(Cl)c2)CC(=O)NC1=O
InChIInChI=1S/C13H13Cl2NO3/c1-19-5-4-13(7-11(17)16-12(13)18)8-2-3-9(14)10(15)6-8/h2-3,6H,4-5,7H2,1H3,(H,16,17,18)
InChIKeyROFJKUOOZKRQIZ-UHFFFAOYSA-N
MW302.16 g/mol
LogP2.31
Rot. Bonds4

About 3-(3,4-dichlorophenyl)-3-(2-methoxyethyl)pyrrolidine-2,5-dione

3-(3,4-dichlorophenyl)-3-(2-methoxyethyl)pyrrolidine-2,5-dione (PubChem CID 71024670) has the molecular formula C13H13Cl2NO3 and a molecular weight of 302.16 g/mol. Its IUPAC name is 3-(3,4-dichlorophenyl)-3-(2-methoxyethyl)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-(3,4-dichlorophenyl)-3-(2-methoxyethyl)pyrrolidine-2,5-dione
PubChem CID71024670
Molecular FormulaC13H13Cl2NO3
Molecular Weight302.16 g/mol
Exact Mass301.03
IUPAC Name3-(3,4-dichlorophenyl)-3-(2-methoxyethyl)pyrrolidine-2,5-dione
SMILESCOCCC1(c2ccc(Cl)c(Cl)c2)CC(=O)NC1=O
InChIInChI=1S/C13H13Cl2NO3/c1-19-5-4-13(7-11(17)16-12(13)18)8-2-3-9(14)10(15)6-8/h2-3,6H,4-5,7H2,1H3,(H,16,17,18)
InChIKeyROFJKUOOZKRQIZ-UHFFFAOYSA-N
XLogP2.31
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.16
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(3S)-3-(3,4-dichlorophenyl)-3-prop-2-enylpiperidine-2,6-dione
CID 24757182
3-[(3R)-3-(3,4-dichlorophenyl)-2,6-dioxopiperidin-3-yl]propanoic acid
CID 11727231
3-[(3S)-3-(3,4-dichlorophenyl)-2,6-dioxopiperidin-3-yl]propanoic acid
CID 11088812
3-(4-chlorophenyl)-3-ethylpyrrolidine-2,5-dione
CID 43155376
3-(3-chlorophenyl)-3-ethylpyrrolidine-2,5-dione
CID 43155320
4-(3,4-dichlorophenyl)-4-methyl-1,5-dihydropyrimidin-6-one
CID 141143893
2-[3-(3,4-dichlorophenyl)-2-oxopiperidin-3-yl]ethyl benzoate
CID 57276335
1-(3,4-dichlorophenyl)-3-[4-(3-ethyl-2,6-dioxopiperidin-3-yl)phenyl]urea
CID 4049256
3-(3-chloro-4-fluorophenyl)-3-methylpyrrolidine-2,5-dione
CID 43155382
2-[(3S)-3-(3,4-dichlorophenyl)piperidin-3-yl]-N-(2-methoxyethyl)ethanamine
CID 46245260
CID 59825938
CID 59825938
6-(3,4-dichlorophenyl)-2-methyl-3-azabicyclo[4.1.0]heptan-4-one
CID 70947534

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dichlorophenyl)-3-(2-methoxyethyl)pyrrolidine-2,5-dione?
The IUPAC name of 3-(3,4-dichlorophenyl)-3-(2-methoxyethyl)pyrrolidine-2,5-dione (CID 71024670) is 3-(3,4-dichlorophenyl)-3-(2-methoxyethyl)pyrrolidine-2,5-dione.
What is the SMILES notation for 3-(3,4-dichlorophenyl)-3-(2-methoxyethyl)pyrrolidine-2,5-dione?
The canonical SMILES for 3-(3,4-dichlorophenyl)-3-(2-methoxyethyl)pyrrolidine-2,5-dione is COCCC1(c2ccc(Cl)c(Cl)c2)CC(=O)NC1=O.
What is the InChIKey of 3-(3,4-dichlorophenyl)-3-(2-methoxyethyl)pyrrolidine-2,5-dione?
The InChIKey is ROFJKUOOZKRQIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13Cl2NO3/c1-19-5-4-13(7-11(17)16-12(13)18)8-2-3-9(14)10(15)6-8/h2-3,6H,4-5,7H2,1H3,(H,16,17,18).
What are the key properties of 3-(3,4-dichlorophenyl)-3-(2-methoxyethyl)pyrrolidine-2,5-dione?
3-(3,4-dichlorophenyl)-3-(2-methoxyethyl)pyrrolidine-2,5-dione has a molecular weight of 302.16 g/mol, XLogP of 2.31, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dichlorophenyl)-3-(2-methoxyethyl)pyrrolidine-2,5-dione is sourced from PubChem (CID 71024670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).