1-(1-methyl-5-nitroindol-2-yl)pyrrolidine-2,5-dione

C13H11N3O4 — CID 122233175

IUPAC1-(1-methyl-5-nitroindol-2-yl)pyrrolidine-2,5-dione
SMILESCn1c(N2C(=O)CCC2=O)cc2cc([N+](=O)[O-])ccc21
InChIInChI=1S/C13H11N3O4/c1-14-10-3-2-9(16(19)20)6-8(10)7-11(14)15-12(17)4-5-13(15)18/h2-3,6-7H,4-5H2,1H3
InChIKeyGOIJPXDBPMBCIQ-UHFFFAOYSA-N
MW273.25 g/mol
LogP1.74
Rot. Bonds2

About 1-(1-methyl-5-nitroindol-2-yl)pyrrolidine-2,5-dione

1-(1-methyl-5-nitroindol-2-yl)pyrrolidine-2,5-dione (PubChem CID 122233175) has the molecular formula C13H11N3O4 and a molecular weight of 273.25 g/mol. Its IUPAC name is 1-(1-methyl-5-nitroindol-2-yl)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-(1-methyl-5-nitroindol-2-yl)pyrrolidine-2,5-dione
PubChem CID122233175
Molecular FormulaC13H11N3O4
Molecular Weight273.25 g/mol
Exact Mass273.07
IUPAC Name1-(1-methyl-5-nitroindol-2-yl)pyrrolidine-2,5-dione
SMILESCn1c(N2C(=O)CCC2=O)cc2cc([N+](=O)[O-])ccc21
InChIInChI=1S/C13H11N3O4/c1-14-10-3-2-9(16(19)20)6-8(10)7-11(14)15-12(17)4-5-13(15)18/h2-3,6-7H,4-5H2,1H3
InChIKeyGOIJPXDBPMBCIQ-UHFFFAOYSA-N
XLogP1.74
TPSA85.45 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.25
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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-methyl-6-nitroquinazolin-2-one
CID 135386678
methyl 2-(6-amino-1-methyl-2-oxoquinolin-3-yl)sulfanylacetate;methyl 2-(1-methyl-6-nitro-2-oxoquinolin-3-yl)sulfanylacetate
CID 159910472
3-acetyl-1-methyl-5-nitrobenzimidazol-2-one
CID 802576
1-[2-(bromomethyl)-4-nitrophenyl]pyrrolidine-2,5-dione
CID 129185501
1,3-dimethyl-6-nitroquinazoline-2,4-dione
CID 12666513
2-methyl-5-nitroindole-1-carboxylic acid
CID 22603625
1-tert-butyl-5-nitroindazole
CID 15147634
1-methyl-2-[4-(1-methyl-5-nitrobenzimidazol-2-yl)phenyl]-5-nitrobenzimidazole
CID 138618315
2,2-dideuterio-N-methyl-2-(1-methyl-6-nitro-2-oxoquinolin-3-yl)oxyacetamide
CID 155142425
2,5-dimethyl-8-nitro-3,4-dihydro-1H-pyrido[4,3-b]indole
CID 82232102
1-(4-chlorophenyl)-5-nitroindole
CID 102404578
trimethyl-(5-nitroindol-1-yl)silane
CID 553560

Frequently Asked Questions

What is the IUPAC name of 1-(1-methyl-5-nitroindol-2-yl)pyrrolidine-2,5-dione?
The IUPAC name of 1-(1-methyl-5-nitroindol-2-yl)pyrrolidine-2,5-dione (CID 122233175) is 1-(1-methyl-5-nitroindol-2-yl)pyrrolidine-2,5-dione.
What is the SMILES notation for 1-(1-methyl-5-nitroindol-2-yl)pyrrolidine-2,5-dione?
The canonical SMILES for 1-(1-methyl-5-nitroindol-2-yl)pyrrolidine-2,5-dione is Cn1c(N2C(=O)CCC2=O)cc2cc([N+](=O)[O-])ccc21.
What is the InChIKey of 1-(1-methyl-5-nitroindol-2-yl)pyrrolidine-2,5-dione?
The InChIKey is GOIJPXDBPMBCIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3O4/c1-14-10-3-2-9(16(19)20)6-8(10)7-11(14)15-12(17)4-5-13(15)18/h2-3,6-7H,4-5H2,1H3.
What are the key properties of 1-(1-methyl-5-nitroindol-2-yl)pyrrolidine-2,5-dione?
1-(1-methyl-5-nitroindol-2-yl)pyrrolidine-2,5-dione has a molecular weight of 273.25 g/mol, XLogP of 1.74, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methyl-5-nitroindol-2-yl)pyrrolidine-2,5-dione is sourced from PubChem (CID 122233175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).