3-(2,3-dihydroindol-1-yl)-4-(4-methoxyphenyl)-1-prop-2-enylpyrrole-2,5-dione

C22H20N2O3 — CID 110556829

IUPAC3-(2,3-dihydroindol-1-yl)-4-(4-methoxyphenyl)-1-prop-2-enylpyrrole-2,5-dione
SMILESC=CCN1C(=O)C(c2ccc(OC)cc2)=C(N2CCc3ccccc32)C1=O
InChIInChI=1S/C22H20N2O3/c1-3-13-24-21(25)19(16-8-10-17(27-2)11-9-16)20(22(24)26)23-14-12-15-6-4-5-7-18(15)23/h3-11H,1,12-14H2,2H3
InChIKeySCQZHYAPESMQLO-UHFFFAOYSA-N
MW360.41 g/mol
LogP3.02
Rot. Bonds5

About 3-(2,3-dihydroindol-1-yl)-4-(4-methoxyphenyl)-1-prop-2-enylpyrrole-2,5-dione

3-(2,3-dihydroindol-1-yl)-4-(4-methoxyphenyl)-1-prop-2-enylpyrrole-2,5-dione (PubChem CID 110556829) has the molecular formula C22H20N2O3 and a molecular weight of 360.41 g/mol. Its IUPAC name is 3-(2,3-dihydroindol-1-yl)-4-(4-methoxyphenyl)-1-prop-2-enylpyrrole-2,5-dione.

Molecular Properties

Compound Name3-(2,3-dihydroindol-1-yl)-4-(4-methoxyphenyl)-1-prop-2-enylpyrrole-2,5-dione
PubChem CID110556829
Molecular FormulaC22H20N2O3
Molecular Weight360.41 g/mol
Exact Mass360.15
IUPAC Name3-(2,3-dihydroindol-1-yl)-4-(4-methoxyphenyl)-1-prop-2-enylpyrrole-2,5-dione
SMILESC=CCN1C(=O)C(c2ccc(OC)cc2)=C(N2CCc3ccccc32)C1=O
InChIInChI=1S/C22H20N2O3/c1-3-13-24-21(25)19(16-8-10-17(27-2)11-9-16)20(22(24)26)23-14-12-15-6-4-5-7-18(15)23/h3-11H,1,12-14H2,2H3
InChIKeySCQZHYAPESMQLO-UHFFFAOYSA-N
XLogP3.02
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.41
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-(2,3-dihydroindol-1-yl)-4-(4-methoxyphenyl)-1-prop-2-enylpyrrole-2,5-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(2,3-dihydroindol-1-yl)-4-phenyl-1-prop-2-enylpyrrole-2,5-dione
CID 110560066
3-(2,3-dihydroindol-1-yl)-1-[(2-fluorophenyl)methyl]-4-(4-methoxyphenyl)pyrrole-2,5-dione
CID 110556702
3-(2,3-dihydroindol-1-yl)-4-(4-methoxyphenyl)-1-(pyridin-2-ylmethyl)pyrrole-2,5-dione
CID 110556081
3-(2,3-dihydroindol-1-yl)-1-(3,5-dimethoxyphenyl)-4-(4-methoxyphenyl)pyrrole-2,5-dione
CID 110555634
1-cyclooctyl-3-(2,3-dihydroindol-1-yl)-4-(4-methoxyphenyl)pyrrole-2,5-dione
CID 110556549
3-(2,3-dihydroindol-1-yl)-1-(4-methoxyphenyl)-4-phenylpyrrole-2,5-dione
CID 110560752
3-(3,4-dihydro-2H-quinolin-1-yl)-4-(4-methoxyphenyl)-1-[(2-methoxyphenyl)methyl]pyrrole-2,5-dione
CID 110556672
3-(2,3-dihydroindol-1-yl)-1-(4-methoxyphenyl)-4-(4-propoxyphenyl)pyrrole-2,5-dione
CID 110577374
3-(2,3-dihydroindol-1-yl)-4-phenyl-1-propylpyrrole-2,5-dione
CID 110559397
3-(3,4-dihydro-2H-quinolin-1-yl)-1,4-bis(4-methoxyphenyl)pyrrole-2,5-dione
CID 110557315
1-[(4-chlorophenyl)methyl]-3-(2,3-dihydroindol-1-yl)-4-(4-ethoxyphenyl)pyrrole-2,5-dione
CID 110546253
1-(2,4-difluorophenyl)-3-(2,3-dihydroindol-1-yl)-4-(4-methoxyphenyl)pyrrole-2,5-dione
CID 110558225

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dihydroindol-1-yl)-4-(4-methoxyphenyl)-1-prop-2-enylpyrrole-2,5-dione?
The IUPAC name of 3-(2,3-dihydroindol-1-yl)-4-(4-methoxyphenyl)-1-prop-2-enylpyrrole-2,5-dione (CID 110556829) is 3-(2,3-dihydroindol-1-yl)-4-(4-methoxyphenyl)-1-prop-2-enylpyrrole-2,5-dione.
What is the SMILES notation for 3-(2,3-dihydroindol-1-yl)-4-(4-methoxyphenyl)-1-prop-2-enylpyrrole-2,5-dione?
The canonical SMILES for 3-(2,3-dihydroindol-1-yl)-4-(4-methoxyphenyl)-1-prop-2-enylpyrrole-2,5-dione is C=CCN1C(=O)C(c2ccc(OC)cc2)=C(N2CCc3ccccc32)C1=O.
What is the InChIKey of 3-(2,3-dihydroindol-1-yl)-4-(4-methoxyphenyl)-1-prop-2-enylpyrrole-2,5-dione?
The InChIKey is SCQZHYAPESMQLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N2O3/c1-3-13-24-21(25)19(16-8-10-17(27-2)11-9-16)20(22(24)26)23-14-12-15-6-4-5-7-18(15)23/h3-11H,1,12-14H2,2H3.
What are the key properties of 3-(2,3-dihydroindol-1-yl)-4-(4-methoxyphenyl)-1-prop-2-enylpyrrole-2,5-dione?
3-(2,3-dihydroindol-1-yl)-4-(4-methoxyphenyl)-1-prop-2-enylpyrrole-2,5-dione has a molecular weight of 360.41 g/mol, XLogP of 3.02, 5 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-(4-methoxyphenyl)-1-prop-2-enylpyrrole-2,5-dione is sourced from PubChem (CID 110556829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).