3-(1-methylindol-3-yl)-4-(3-nitrophenyl)pyrrole-2,5-dione

C19H13N3O4 — CID 5327712

IUPAC3-(1-methylindol-3-yl)-4-(3-nitrophenyl)pyrrole-2,5-dione
SMILESCn1cc(C2=C(c3cccc([N+](=O)[O-])c3)C(=O)NC2=O)c2ccccc21
InChIInChI=1S/C19H13N3O4/c1-21-10-14(13-7-2-3-8-15(13)21)17-16(18(23)20-19(17)24)11-5-4-6-12(9-11)22(25)26/h2-10H,1H3,(H,20,23,24)
InChIKeyLQYAEVHUTDICIN-UHFFFAOYSA-N
MW347.33 g/mol
LogP2.65
Rot. Bonds3

About 3-(1-methylindol-3-yl)-4-(3-nitrophenyl)pyrrole-2,5-dione

3-(1-methylindol-3-yl)-4-(3-nitrophenyl)pyrrole-2,5-dione (PubChem CID 5327712) has the molecular formula C19H13N3O4 and a molecular weight of 347.33 g/mol. Its IUPAC name is 3-(1-methylindol-3-yl)-4-(3-nitrophenyl)pyrrole-2,5-dione.

Molecular Properties

Compound Name3-(1-methylindol-3-yl)-4-(3-nitrophenyl)pyrrole-2,5-dione
PubChem CID5327712
Molecular FormulaC19H13N3O4
Molecular Weight347.33 g/mol
Exact Mass347.09
IUPAC Name3-(1-methylindol-3-yl)-4-(3-nitrophenyl)pyrrole-2,5-dione
SMILESCn1cc(C2=C(c3cccc([N+](=O)[O-])c3)C(=O)NC2=O)c2ccccc21
InChIInChI=1S/C19H13N3O4/c1-21-10-14(13-7-2-3-8-15(13)21)17-16(18(23)20-19(17)24)11-5-4-6-12(9-11)22(25)26/h2-10H,1H3,(H,20,23,24)
InChIKeyLQYAEVHUTDICIN-UHFFFAOYSA-N
XLogP2.65
TPSA94.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.33
LogP ≤ 52.65
H-Bond Donors ≤ 51
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

3-(1-(3-(Dimethylamino)propyl)-1H-indol-3-yl)-4-(1H-indol-3-yl)-1H-pyrrole-2,5-dione
CID 2396
SB 216763
CID 176158
1H-pyrrole-2,5-dione, 3-(1-methyl-1H-indol-3-yl)-4-(1-methyl-6-nitro-1H-indol-3-yl)-
CID 5327686
Bisindolylmaleimide VIII
CID 2403
Iron oxide, spent
CID 5327711
Arcyriarubin A
CID 2399
Ro 31-8830
CID 5084
Ro 31-8425
CID 2404
3-[3-(2,3-Dihydroxy-Propylamino)-Phenyl]-4-(5-Fluoro-1-Methyl-1h-Indol-3-Yl)-Pyrrole-2,5-Dione
CID 11560568
Bisindolylmaleimide III
CID 2398
1-methyl-N-phenyl-1H-indole-3-carboxamide
CID 9038340
Bas 05212031
CID 795532

Frequently Asked Questions

What is the IUPAC name of 3-(1-methylindol-3-yl)-4-(3-nitrophenyl)pyrrole-2,5-dione?
The IUPAC name of 3-(1-methylindol-3-yl)-4-(3-nitrophenyl)pyrrole-2,5-dione (CID 5327712) is 3-(1-methylindol-3-yl)-4-(3-nitrophenyl)pyrrole-2,5-dione.
What is the SMILES notation for 3-(1-methylindol-3-yl)-4-(3-nitrophenyl)pyrrole-2,5-dione?
The canonical SMILES for 3-(1-methylindol-3-yl)-4-(3-nitrophenyl)pyrrole-2,5-dione is Cn1cc(C2=C(c3cccc([N+](=O)[O-])c3)C(=O)NC2=O)c2ccccc21.
What is the InChIKey of 3-(1-methylindol-3-yl)-4-(3-nitrophenyl)pyrrole-2,5-dione?
The InChIKey is LQYAEVHUTDICIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13N3O4/c1-21-10-14(13-7-2-3-8-15(13)21)17-16(18(23)20-19(17)24)11-5-4-6-12(9-11)22(25)26/h2-10H,1H3,(H,20,23,24).
What are the key properties of 3-(1-methylindol-3-yl)-4-(3-nitrophenyl)pyrrole-2,5-dione?
3-(1-methylindol-3-yl)-4-(3-nitrophenyl)pyrrole-2,5-dione has a molecular weight of 347.33 g/mol, XLogP of 2.65, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-methylindol-3-yl)-4-(3-nitrophenyl)pyrrole-2,5-dione is sourced from PubChem (CID 5327712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).