1-[(2-chloro-5-nitrophenyl)methyl]pyrrolidine-2,5-dione

C11H9ClN2O4 — CID 43169169

IUPAC1-[(2-chloro-5-nitrophenyl)methyl]pyrrolidine-2,5-dione
SMILESO=C1CCC(=O)N1Cc1cc([N+](=O)[O-])ccc1Cl
InChIInChI=1S/C11H9ClN2O4/c12-9-2-1-8(14(17)18)5-7(9)6-13-10(15)3-4-11(13)16/h1-2,5H,3-4,6H2
InChIKeyLICZWIHMLPNWQL-UHFFFAOYSA-N
MW268.66 g/mol
LogP1.90
Rot. Bonds3

About 1-[(2-chloro-5-nitrophenyl)methyl]pyrrolidine-2,5-dione

1-[(2-chloro-5-nitrophenyl)methyl]pyrrolidine-2,5-dione (PubChem CID 43169169) has the molecular formula C11H9ClN2O4 and a molecular weight of 268.66 g/mol. Its IUPAC name is 1-[(2-chloro-5-nitrophenyl)methyl]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-[(2-chloro-5-nitrophenyl)methyl]pyrrolidine-2,5-dione
PubChem CID43169169
Molecular FormulaC11H9ClN2O4
Molecular Weight268.66 g/mol
Exact Mass268.03
IUPAC Name1-[(2-chloro-5-nitrophenyl)methyl]pyrrolidine-2,5-dione
SMILESO=C1CCC(=O)N1Cc1cc([N+](=O)[O-])ccc1Cl
InChIInChI=1S/C11H9ClN2O4/c12-9-2-1-8(14(17)18)5-7(9)6-13-10(15)3-4-11(13)16/h1-2,5H,3-4,6H2
InChIKeyLICZWIHMLPNWQL-UHFFFAOYSA-N
XLogP1.90
TPSA80.52 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.66
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'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

1-[[2-(ethylamino)-5-nitrophenyl]methyl]pyrrolidine-2,5-dione
CID 62207983
1-[(2-chloro-5-nitrophenyl)methyl]piperidine
CID 43350269
4-[(2-chloro-5-nitrophenyl)methyl]-1-methyl-1,4-diazepan-2-one
CID 102848288
3-[(2-chloro-5-nitrophenyl)methyl]-5-propylimidazolidine-2,4-dione
CID 43169175
1-[(2-chloro-5-nitrophenyl)methyl]-4,4-difluoropiperidine
CID 171365172
1-[(2-chloro-5-nitrophenyl)methyl]-4-(4-nitrophenyl)piperazine
CID 2838664
1-[(2-chloro-5-nitrophenyl)methyl]-4-nitropyrazole
CID 43169178
1-[(2-chloro-5-nitrophenyl)methyl]-3-nitropyridin-2-one
CID 62101627
1-[(2-chloro-5-nitrophenyl)methyl]-4-methylpyrazine-2,3-dione
CID 62929785
1-[(2-chloro-5-nitrophenyl)methyl]-3,4-dihydro-2H-quinoline
CID 43350274
1-[(2-chloro-5-nitrophenyl)methyl]-4-methyl-1,4-diazepane
CID 2838717
methyl 2-[(2-chloro-5-nitrophenyl)methylsulfanyl]acetate
CID 43617901

Frequently Asked Questions

What is the IUPAC name of 1-[(2-chloro-5-nitrophenyl)methyl]pyrrolidine-2,5-dione?
The IUPAC name of 1-[(2-chloro-5-nitrophenyl)methyl]pyrrolidine-2,5-dione (CID 43169169) is 1-[(2-chloro-5-nitrophenyl)methyl]pyrrolidine-2,5-dione.
What is the SMILES notation for 1-[(2-chloro-5-nitrophenyl)methyl]pyrrolidine-2,5-dione?
The canonical SMILES for 1-[(2-chloro-5-nitrophenyl)methyl]pyrrolidine-2,5-dione is O=C1CCC(=O)N1Cc1cc([N+](=O)[O-])ccc1Cl.
What is the InChIKey of 1-[(2-chloro-5-nitrophenyl)methyl]pyrrolidine-2,5-dione?
The InChIKey is LICZWIHMLPNWQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClN2O4/c12-9-2-1-8(14(17)18)5-7(9)6-13-10(15)3-4-11(13)16/h1-2,5H,3-4,6H2.
What are the key properties of 1-[(2-chloro-5-nitrophenyl)methyl]pyrrolidine-2,5-dione?
1-[(2-chloro-5-nitrophenyl)methyl]pyrrolidine-2,5-dione has a molecular weight of 268.66 g/mol, XLogP of 1.90, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-chloro-5-nitrophenyl)methyl]pyrrolidine-2,5-dione is sourced from PubChem (CID 43169169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).