(3S)-3-(1-methylindol-3-yl)-1-(3-nitrophenyl)pyrrolidine-2,5-dione

C19H15N3O4 — CID 942919

IUPAC(3S)-3-(1-methylindol-3-yl)-1-(3-nitrophenyl)pyrrolidine-2,5-dione
SMILESCn1cc([C@@H]2CC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)c2ccccc21
InChIInChI=1S/C19H15N3O4/c1-20-11-16(14-7-2-3-8-17(14)20)15-10-18(23)21(19(15)24)12-5-4-6-13(9-12)22(25)26/h2-9,11,15H,10H2,1H3/t15-/m0/s1
InChIKeyFIPSIEAHWCPDJI-HNNXBMFYSA-N
MW349.35 g/mol
LogP3.13
Rot. Bonds3

About (3S)-3-(1-methylindol-3-yl)-1-(3-nitrophenyl)pyrrolidine-2,5-dione

(3S)-3-(1-methylindol-3-yl)-1-(3-nitrophenyl)pyrrolidine-2,5-dione (PubChem CID 942919) has the molecular formula C19H15N3O4 and a molecular weight of 349.35 g/mol. Its IUPAC name is (3S)-3-(1-methylindol-3-yl)-1-(3-nitrophenyl)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name(3S)-3-(1-methylindol-3-yl)-1-(3-nitrophenyl)pyrrolidine-2,5-dione
PubChem CID942919
Molecular FormulaC19H15N3O4
Molecular Weight349.35 g/mol
Exact Mass349.11
IUPAC Name(3S)-3-(1-methylindol-3-yl)-1-(3-nitrophenyl)pyrrolidine-2,5-dione
SMILESCn1cc([C@@H]2CC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)c2ccccc21
InChIInChI=1S/C19H15N3O4/c1-20-11-16(14-7-2-3-8-17(14)20)15-10-18(23)21(19(15)24)12-5-4-6-13(9-12)22(25)26/h2-9,11,15H,10H2,1H3/t15-/m0/s1
InChIKeyFIPSIEAHWCPDJI-HNNXBMFYSA-N
XLogP3.13
TPSA85.45 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.35
LogP ≤ 53.13
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

(3R)-1-(3-methoxyphenyl)-3-(1-methylindol-3-yl)pyrrolidine-2,5-dione
CID 908648
(3S)-3-(1-methylindol-3-yl)-1-(4-methylphenyl)pyrrolidine-2,5-dione
CID 946422
(3S)-1-(2,6-dichlorophenyl)-3-(1-methylindol-3-yl)pyrrolidine-2,5-dione
CID 2010895
1-phenyl-3-(1-propylindol-3-yl)pyrrolidine-2,5-dione
CID 23605678
3-(2-aminoethylsulfanyl)-1-(3-nitrophenyl)pyrrolidine-2,5-dione
CID 66525521
(3R)-3-(1H-indol-3-yl)-1-(3-methylphenyl)pyrrolidine-2,5-dione
CID 885166
1,5-dimethyl-3-(3-nitrophenyl)imidazolidine-2,4-dione
CID 62637979
(3aS,4R,7R,7aS)-4,7-dimethyl-2-(3-nitrophenyl)-3a,7a-dihydro-4,7-epoxyisoindole-1,3-dione
CID 98068596
3-(1-ethylindol-3-yl)-1-(4-hydroxyphenyl)pyrrolidine-2,5-dione
CID 2988657
(3aR,7aS)-2-(3-nitrophenyl)-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione
CID 2245221
(3R)-1-(4-bromophenyl)-3-(1-butylindol-3-yl)pyrrolidine-2,5-dione
CID 2032601
(3S)-1-(4-bromophenyl)-3-(1-butylindol-3-yl)pyrrolidine-2,5-dione
CID 2032606

Frequently Asked Questions

What is the IUPAC name of (3S)-3-(1-methylindol-3-yl)-1-(3-nitrophenyl)pyrrolidine-2,5-dione?
The IUPAC name of (3S)-3-(1-methylindol-3-yl)-1-(3-nitrophenyl)pyrrolidine-2,5-dione (CID 942919) is (3S)-3-(1-methylindol-3-yl)-1-(3-nitrophenyl)pyrrolidine-2,5-dione.
What is the SMILES notation for (3S)-3-(1-methylindol-3-yl)-1-(3-nitrophenyl)pyrrolidine-2,5-dione?
The canonical SMILES for (3S)-3-(1-methylindol-3-yl)-1-(3-nitrophenyl)pyrrolidine-2,5-dione is Cn1cc([C@@H]2CC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)c2ccccc21.
What is the InChIKey of (3S)-3-(1-methylindol-3-yl)-1-(3-nitrophenyl)pyrrolidine-2,5-dione?
The InChIKey is FIPSIEAHWCPDJI-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H15N3O4/c1-20-11-16(14-7-2-3-8-17(14)20)15-10-18(23)21(19(15)24)12-5-4-6-13(9-12)22(25)26/h2-9,11,15H,10H2,1H3/t15-/m0/s1.
What are the key properties of (3S)-3-(1-methylindol-3-yl)-1-(3-nitrophenyl)pyrrolidine-2,5-dione?
(3S)-3-(1-methylindol-3-yl)-1-(3-nitrophenyl)pyrrolidine-2,5-dione has a molecular weight of 349.35 g/mol, XLogP of 3.13, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-(1-methylindol-3-yl)-1-(3-nitrophenyl)pyrrolidine-2,5-dione is sourced from PubChem (CID 942919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).