1-(4-chloro-3-methoxyphenyl)pyrrolidine-2,3-dione

C11H10ClNO3 — CID 107622002

IUPAC1-(4-chloro-3-methoxyphenyl)pyrrolidine-2,3-dione
SMILESCOc1cc(N2CCC(=O)C2=O)ccc1Cl
InChIInChI=1S/C11H10ClNO3/c1-16-10-6-7(2-3-8(10)12)13-5-4-9(14)11(13)15/h2-3,6H,4-5H2,1H3
InChIKeyMFXJBCSNYCLEHA-UHFFFAOYSA-N
MW239.66 g/mol
LogP1.65
Rot. Bonds2

About 1-(4-chloro-3-methoxyphenyl)pyrrolidine-2,3-dione

1-(4-chloro-3-methoxyphenyl)pyrrolidine-2,3-dione (PubChem CID 107622002) has the molecular formula C11H10ClNO3 and a molecular weight of 239.66 g/mol. Its IUPAC name is 1-(4-chloro-3-methoxyphenyl)pyrrolidine-2,3-dione.

Molecular Properties

Compound Name1-(4-chloro-3-methoxyphenyl)pyrrolidine-2,3-dione
PubChem CID107622002
Molecular FormulaC11H10ClNO3
Molecular Weight239.66 g/mol
Exact Mass239.03
IUPAC Name1-(4-chloro-3-methoxyphenyl)pyrrolidine-2,3-dione
SMILESCOc1cc(N2CCC(=O)C2=O)ccc1Cl
InChIInChI=1S/C11H10ClNO3/c1-16-10-6-7(2-3-8(10)12)13-5-4-9(14)11(13)15/h2-3,6H,4-5H2,1H3
InChIKeyMFXJBCSNYCLEHA-UHFFFAOYSA-N
XLogP1.65
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.66
LogP ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(4-chloro-3-methoxyphenyl)-1,3-diazinan-2-one
CID 107623725
1-(4-chloro-3-methoxyphenyl)-3-(cyclopropylamino)pyrrolidin-2-one
CID 107623351
1-(4-chloro-3-methoxyphenyl)-4-methylpiperazine
CID 143061679
1-(4-chloro-3-methoxyphenyl)-5-oxopyrrolidine-3-sulfonamide
CID 168717379
1-(4-chloro-3-methoxyphenyl)-N-methylpyrrolidin-3-amine
CID 107622018
1-(4-chloro-3-methoxyphenyl)piperazine;propane
CID 145414306
1-(3-methoxy-4-methylphenyl)piperidine-2,4-dione
CID 167629749
1-(2-chloro-5-fluorophenyl)pyrrolidine-2,3-dione
CID 107528742
1-(4-chloro-3-methoxyphenyl)-3-propylpiperazine-2,5-dione
CID 107623446
1-(4-chloro-3-methoxyphenyl)-6-oxopyridine-3-carboxylic acid
CID 107622967
3-(4-chloro-3-methoxyphenyl)cyclohept-2-en-1-one
CID 107382719
(5S)-1-(4-chloro-3-methoxyphenyl)-5-prop-2-enylpiperazin-2-one
CID 23395661

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-3-methoxyphenyl)pyrrolidine-2,3-dione?
The IUPAC name of 1-(4-chloro-3-methoxyphenyl)pyrrolidine-2,3-dione (CID 107622002) is 1-(4-chloro-3-methoxyphenyl)pyrrolidine-2,3-dione.
What is the SMILES notation for 1-(4-chloro-3-methoxyphenyl)pyrrolidine-2,3-dione?
The canonical SMILES for 1-(4-chloro-3-methoxyphenyl)pyrrolidine-2,3-dione is COc1cc(N2CCC(=O)C2=O)ccc1Cl.
What is the InChIKey of 1-(4-chloro-3-methoxyphenyl)pyrrolidine-2,3-dione?
The InChIKey is MFXJBCSNYCLEHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClNO3/c1-16-10-6-7(2-3-8(10)12)13-5-4-9(14)11(13)15/h2-3,6H,4-5H2,1H3.
What are the key properties of 1-(4-chloro-3-methoxyphenyl)pyrrolidine-2,3-dione?
1-(4-chloro-3-methoxyphenyl)pyrrolidine-2,3-dione has a molecular weight of 239.66 g/mol, XLogP of 1.65, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-3-methoxyphenyl)pyrrolidine-2,3-dione is sourced from PubChem (CID 107622002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).