3-(2,3-dihydroindol-1-yl)-1-(furan-2-ylmethyl)-4-(4-nitrophenyl)pyrrole-2,5-dione

C23H17N3O5 — CID 110541099

IUPAC3-(2,3-dihydroindol-1-yl)-1-(furan-2-ylmethyl)-4-(4-nitrophenyl)pyrrole-2,5-dione
SMILESO=C1C(c2ccc([N+](=O)[O-])cc2)=C(N2CCc3ccccc32)C(=O)N1Cc1ccco1
InChIInChI=1S/C23H17N3O5/c27-22-20(16-7-9-17(10-8-16)26(29)30)21(23(28)25(22)14-18-5-3-13-31-18)24-12-11-15-4-1-2-6-19(15)24/h1-10,13H,11-12,14H2
InChIKeyMUHRBRLSNCFFHZ-UHFFFAOYSA-N
MW415.41 g/mol
LogP3.53
Rot. Bonds5

About 3-(2,3-dihydroindol-1-yl)-1-(furan-2-ylmethyl)-4-(4-nitrophenyl)pyrrole-2,5-dione

3-(2,3-dihydroindol-1-yl)-1-(furan-2-ylmethyl)-4-(4-nitrophenyl)pyrrole-2,5-dione (PubChem CID 110541099) has the molecular formula C23H17N3O5 and a molecular weight of 415.41 g/mol. Its IUPAC name is 3-(2,3-dihydroindol-1-yl)-1-(furan-2-ylmethyl)-4-(4-nitrophenyl)pyrrole-2,5-dione.

Molecular Properties

Compound Name3-(2,3-dihydroindol-1-yl)-1-(furan-2-ylmethyl)-4-(4-nitrophenyl)pyrrole-2,5-dione
PubChem CID110541099
Molecular FormulaC23H17N3O5
Molecular Weight415.41 g/mol
Exact Mass415.12
IUPAC Name3-(2,3-dihydroindol-1-yl)-1-(furan-2-ylmethyl)-4-(4-nitrophenyl)pyrrole-2,5-dione
SMILESO=C1C(c2ccc([N+](=O)[O-])cc2)=C(N2CCc3ccccc32)C(=O)N1Cc1ccco1
InChIInChI=1S/C23H17N3O5/c27-22-20(16-7-9-17(10-8-16)26(29)30)21(23(28)25(22)14-18-5-3-13-31-18)24-12-11-15-4-1-2-6-19(15)24/h1-10,13H,11-12,14H2
InChIKeyMUHRBRLSNCFFHZ-UHFFFAOYSA-N
XLogP3.53
TPSA96.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.41
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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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Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dihydroindol-1-yl)-1-(furan-2-ylmethyl)-4-(4-nitrophenyl)pyrrole-2,5-dione?
The IUPAC name of 3-(2,3-dihydroindol-1-yl)-1-(furan-2-ylmethyl)-4-(4-nitrophenyl)pyrrole-2,5-dione (CID 110541099) is 3-(2,3-dihydroindol-1-yl)-1-(furan-2-ylmethyl)-4-(4-nitrophenyl)pyrrole-2,5-dione.
What is the SMILES notation for 3-(2,3-dihydroindol-1-yl)-1-(furan-2-ylmethyl)-4-(4-nitrophenyl)pyrrole-2,5-dione?
The canonical SMILES for 3-(2,3-dihydroindol-1-yl)-1-(furan-2-ylmethyl)-4-(4-nitrophenyl)pyrrole-2,5-dione is O=C1C(c2ccc([N+](=O)[O-])cc2)=C(N2CCc3ccccc32)C(=O)N1Cc1ccco1.
What is the InChIKey of 3-(2,3-dihydroindol-1-yl)-1-(furan-2-ylmethyl)-4-(4-nitrophenyl)pyrrole-2,5-dione?
The InChIKey is MUHRBRLSNCFFHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17N3O5/c27-22-20(16-7-9-17(10-8-16)26(29)30)21(23(28)25(22)14-18-5-3-13-31-18)24-12-11-15-4-1-2-6-19(15)24/h1-10,13H,11-12,14H2.
What are the key properties of 3-(2,3-dihydroindol-1-yl)-1-(furan-2-ylmethyl)-4-(4-nitrophenyl)pyrrole-2,5-dione?
3-(2,3-dihydroindol-1-yl)-1-(furan-2-ylmethyl)-4-(4-nitrophenyl)pyrrole-2,5-dione has a molecular weight of 415.41 g/mol, XLogP of 3.53, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dihydroindol-1-yl)-1-(furan-2-ylmethyl)-4-(4-nitrophenyl)pyrrole-2,5-dione is sourced from PubChem (CID 110541099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).