3-(2,3-dihydroindol-1-yl)-4-phenyl-1-(2-propoxyphenyl)pyrrole-2,5-dione

C27H24N2O3 — CID 110561521

IUPAC3-(2,3-dihydroindol-1-yl)-4-phenyl-1-(2-propoxyphenyl)pyrrole-2,5-dione
SMILESCCCOc1ccccc1N1C(=O)C(c2ccccc2)=C(N2CCc3ccccc32)C1=O
InChIInChI=1S/C27H24N2O3/c1-2-18-32-23-15-9-8-14-22(23)29-26(30)24(20-11-4-3-5-12-20)25(27(29)31)28-17-16-19-10-6-7-13-21(19)28/h3-15H,2,16-18H2,1H3
InChIKeyBWCXHIJMAGFUPX-UHFFFAOYSA-N
MW424.50 g/mol
LogP4.82
Rot. Bonds6

About 3-(2,3-dihydroindol-1-yl)-4-phenyl-1-(2-propoxyphenyl)pyrrole-2,5-dione

3-(2,3-dihydroindol-1-yl)-4-phenyl-1-(2-propoxyphenyl)pyrrole-2,5-dione (PubChem CID 110561521) has the molecular formula C27H24N2O3 and a molecular weight of 424.50 g/mol. Its IUPAC name is 3-(2,3-dihydroindol-1-yl)-4-phenyl-1-(2-propoxyphenyl)pyrrole-2,5-dione.

Molecular Properties

Compound Name3-(2,3-dihydroindol-1-yl)-4-phenyl-1-(2-propoxyphenyl)pyrrole-2,5-dione
PubChem CID110561521
Molecular FormulaC27H24N2O3
Molecular Weight424.50 g/mol
Exact Mass424.18
IUPAC Name3-(2,3-dihydroindol-1-yl)-4-phenyl-1-(2-propoxyphenyl)pyrrole-2,5-dione
SMILESCCCOc1ccccc1N1C(=O)C(c2ccccc2)=C(N2CCc3ccccc32)C1=O
InChIInChI=1S/C27H24N2O3/c1-2-18-32-23-15-9-8-14-22(23)29-26(30)24(20-11-4-3-5-12-20)25(27(29)31)28-17-16-19-10-6-7-13-21(19)28/h3-15H,2,16-18H2,1H3
InChIKeyBWCXHIJMAGFUPX-UHFFFAOYSA-N
XLogP4.82
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.50
LogP ≤ 54.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

3-(2,3-dihydroindol-1-yl)-1-(4-methoxyphenyl)-4-(4-propoxyphenyl)pyrrole-2,5-dione
CID 110577374
propyl 4-[3-(2,3-dihydroindol-1-yl)-2,5-dioxo-4-phenylpyrrol-1-yl]benzoate
CID 110561016
3-(2,3-dihydroindol-1-yl)-1,4-diphenylpyrrole-2,5-dione
CID 110561108
3-(2,3-dihydroindol-1-yl)-4-phenyl-1-propylpyrrole-2,5-dione
CID 110559397
4-[3-(2,3-dihydroindol-1-yl)-2,5-dioxo-4-(4-propoxyphenyl)pyrrol-1-yl]benzonitrile
CID 110577696
3-(3,4-dihydro-1H-isoquinolin-2-yl)-1-(2-ethoxyphenyl)-4-phenylpyrrole-2,5-dione
CID 110560543
3-hydroxy-4-phenyl-1-(2-propoxyphenyl)pyrrole-2,5-dione
CID 110581255
3-(3-methylpiperidin-1-yl)-4-phenyl-1-(2-propoxyphenyl)pyrrole-2,5-dione
CID 110561504
3-(2,3-dihydroindol-1-yl)-1-(4-methoxyphenyl)-4-phenylpyrrole-2,5-dione
CID 110560752
3-(2,3-dihydroindol-1-yl)-4-(3,4-dimethylphenyl)-1-(3-propoxyphenyl)pyrrole-2,5-dione
CID 110548165
3-(2,3-dihydroindol-1-yl)-1-[4-(dimethylamino)phenyl]-4-phenylpyrrole-2,5-dione
CID 110558734
3-(2,3-dihydroindol-1-yl)-1-hexyl-4-phenylpyrrole-2,5-dione
CID 110559989

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dihydroindol-1-yl)-4-phenyl-1-(2-propoxyphenyl)pyrrole-2,5-dione?
The IUPAC name of 3-(2,3-dihydroindol-1-yl)-4-phenyl-1-(2-propoxyphenyl)pyrrole-2,5-dione (CID 110561521) is 3-(2,3-dihydroindol-1-yl)-4-phenyl-1-(2-propoxyphenyl)pyrrole-2,5-dione.
What is the SMILES notation for 3-(2,3-dihydroindol-1-yl)-4-phenyl-1-(2-propoxyphenyl)pyrrole-2,5-dione?
The canonical SMILES for 3-(2,3-dihydroindol-1-yl)-4-phenyl-1-(2-propoxyphenyl)pyrrole-2,5-dione is CCCOc1ccccc1N1C(=O)C(c2ccccc2)=C(N2CCc3ccccc32)C1=O.
What is the InChIKey of 3-(2,3-dihydroindol-1-yl)-4-phenyl-1-(2-propoxyphenyl)pyrrole-2,5-dione?
The InChIKey is BWCXHIJMAGFUPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24N2O3/c1-2-18-32-23-15-9-8-14-22(23)29-26(30)24(20-11-4-3-5-12-20)25(27(29)31)28-17-16-19-10-6-7-13-21(19)28/h3-15H,2,16-18H2,1H3.
What are the key properties of 3-(2,3-dihydroindol-1-yl)-4-phenyl-1-(2-propoxyphenyl)pyrrole-2,5-dione?
3-(2,3-dihydroindol-1-yl)-4-phenyl-1-(2-propoxyphenyl)pyrrole-2,5-dione has a molecular weight of 424.50 g/mol, XLogP of 4.82, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dihydroindol-1-yl)-4-phenyl-1-(2-propoxyphenyl)pyrrole-2,5-dione is sourced from PubChem (CID 110561521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).