3-chloro-4-(2-methoxy-4-nitrophenyl)pyrrolidine-2,5-dione

C11H9ClN2O5 — CID 106694928

IUPAC3-chloro-4-(2-methoxy-4-nitrophenyl)pyrrolidine-2,5-dione
SMILESCOc1cc([N+](=O)[O-])ccc1C1C(=O)NC(=O)C1Cl
InChIInChI=1S/C11H9ClN2O5/c1-19-7-4-5(14(17)18)2-3-6(7)8-9(12)11(16)13-10(8)15/h2-4,8-9H,1H3,(H,13,15,16)
InChIKeyFFJAYEZOMMJTHL-UHFFFAOYSA-N
MW284.66 g/mol
LogP0.95
Rot. Bonds3

About 3-chloro-4-(2-methoxy-4-nitrophenyl)pyrrolidine-2,5-dione

3-chloro-4-(2-methoxy-4-nitrophenyl)pyrrolidine-2,5-dione (PubChem CID 106694928) has the molecular formula C11H9ClN2O5 and a molecular weight of 284.66 g/mol. Its IUPAC name is 3-chloro-4-(2-methoxy-4-nitrophenyl)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-chloro-4-(2-methoxy-4-nitrophenyl)pyrrolidine-2,5-dione
PubChem CID106694928
Molecular FormulaC11H9ClN2O5
Molecular Weight284.66 g/mol
Exact Mass284.02
IUPAC Name3-chloro-4-(2-methoxy-4-nitrophenyl)pyrrolidine-2,5-dione
SMILESCOc1cc([N+](=O)[O-])ccc1C1C(=O)NC(=O)C1Cl
InChIInChI=1S/C11H9ClN2O5/c1-19-7-4-5(14(17)18)2-3-6(7)8-9(12)11(16)13-10(8)15/h2-4,8-9H,1H3,(H,13,15,16)
InChIKeyFFJAYEZOMMJTHL-UHFFFAOYSA-N
XLogP0.95
TPSA98.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.66
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

2-methoxy-4-nitro-1-(3-nitrophenyl)benzene
CID 91596770
3-(2-methoxy-4-nitroanilino)pyrrolidine-2,5-dione
CID 62881212
3-amino-7-methoxy-5-nitro-1,3-dihydroindol-2-one
CID 82235274
2-methoxy-4-nitrobenzenethiol
CID 22148741
2-methoxy-1-[(R)-methylsulfinyl]-4-nitrobenzene
CID 125486779
2-methoxy-4-nitrobenzenesulfinate
CID 67331652
1-(2-chloroethoxy)-2-methoxy-4-nitrobenzene
CID 22326897
ethane;2-methoxy-4-nitrophenol
CID 91188946
dichloromethane;2-methoxy-4-nitrophenol
CID 141183892
methyl 2-methoxy-4-nitrobenzoate
CID 10798535
2-methoxy-4-nitrobenzaldehyde
CID 2759599
2-(1-chloroethoxy)-1-methoxy-4-nitrobenzene
CID 174987281

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-(2-methoxy-4-nitrophenyl)pyrrolidine-2,5-dione?
The IUPAC name of 3-chloro-4-(2-methoxy-4-nitrophenyl)pyrrolidine-2,5-dione (CID 106694928) is 3-chloro-4-(2-methoxy-4-nitrophenyl)pyrrolidine-2,5-dione.
What is the SMILES notation for 3-chloro-4-(2-methoxy-4-nitrophenyl)pyrrolidine-2,5-dione?
The canonical SMILES for 3-chloro-4-(2-methoxy-4-nitrophenyl)pyrrolidine-2,5-dione is COc1cc([N+](=O)[O-])ccc1C1C(=O)NC(=O)C1Cl.
What is the InChIKey of 3-chloro-4-(2-methoxy-4-nitrophenyl)pyrrolidine-2,5-dione?
The InChIKey is FFJAYEZOMMJTHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClN2O5/c1-19-7-4-5(14(17)18)2-3-6(7)8-9(12)11(16)13-10(8)15/h2-4,8-9H,1H3,(H,13,15,16).
What are the key properties of 3-chloro-4-(2-methoxy-4-nitrophenyl)pyrrolidine-2,5-dione?
3-chloro-4-(2-methoxy-4-nitrophenyl)pyrrolidine-2,5-dione has a molecular weight of 284.66 g/mol, XLogP of 0.95, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-(2-methoxy-4-nitrophenyl)pyrrolidine-2,5-dione is sourced from PubChem (CID 106694928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).