4-(1,3-dihydroindol-2-ylidene)-1-(3,5-dimethoxyphenyl)-2-(2-hydroxyethyl)-2-methyl-5-methyliminopyrrolidin-3-one;4-(1,3-dihydroindol-2-ylidene)-1-(3,5-dimethoxyphenyl)-2-(3-hydroxypropyl)-5-iminopyrrolidin-3-one;4-(1,3-dihydroindol-2-ylidene)-1-(3,5-dimethoxyphenyl)-5-imino-2-(2-methoxyethyl)-2-methylpyrrolidin-3-one;4-(1,3-dihydroindol-2-ylidene)-1-(3,5-dimethoxyphenyl)-2-(2-methoxyethyl)-5-methyliminopyrrolidin-3-one;4-(1,3-dihydroindol-2-ylidene)-1-(3,5-dimethoxyphenyl)-2-(2-methoxyethyl)-2-methyl-5-methyliminopyrrolidin-3-one

C120H135N15O20 — CID 159273950

About 4-(1,3-dihydroindol-2-ylidene)-1-(3,5-dimethoxyphenyl)-2-(2-hydroxyethyl)-2-methyl-5-methyliminopyrrolidin-3-one;4-(1,3-dihydroindol-2-ylidene)-1-(3,5-dimethoxyphenyl)-2-(3-hydroxypropyl)-5-iminopyrrolidin-3-one;4-(1,3-dihydroindol-2-ylidene)-1-(3,5-dimethoxyphenyl)-5-imino-2-(2-methoxyethyl)-2-methylpyrrolidin-3-one;4-(1,3-dihydroindol-2-ylidene)-1-(3,5-dimethoxyphenyl)-2-(2-methoxyethyl)-5-methyliminopyrrolidin-3-one;4-(1,3-dihydroindol-2-ylidene)-1-(3,5-dimethoxyphenyl)-2-(2-methoxyethyl)-2-methyl-5-methyliminopyrrolidin-3-one

4-(1,3-dihydroindol-2-ylidene)-1-(3,5-dimethoxyphenyl)-2-(2-hydroxyethyl)-2-methyl-5-methyliminopyrrolidin-3-one;4-(1,3-dihydroindol-2-ylidene)-1-(3,5-dimethoxyphenyl)-2-(3-hydroxypropyl)-5-iminopyrrolidin-3-one;4-(1,3-dihydroindol-2-ylidene)-1-(3,5-dimethoxyphenyl)-5-imino-2-(2-methoxyethyl)-2-methylpyrrolidin-3-one;4-(1,3-dihydroindol-2-ylidene)-1-(3,5-dimethoxyphenyl)-2-(2-methoxyethyl)-5-methyliminopyrrolidin-3-one;4-(1,3-dihydroindol-2-ylidene)-1-(3,5-dimethoxyphenyl)-2-(2-methoxyethyl)-2-methyl-5-methyliminopyrrolidin-3-one (PubChem CID 159273950) has the molecular formula C120H135N15O20 and a molecular weight of 2107.48 g/mol. Its IUPAC name is 4-(1,3-dihydroindol-2-ylidene)-1-(3,5-dimethoxyphenyl)-2-(2-hydroxyethyl)-2-methyl-5-methyliminopyrrolidin-3-one;4-(1,3-dihydroindol-2-ylidene)-1-(3,5-dimethoxyphenyl)-2-(3-hydroxypropyl)-5-iminopyrrolidin-3-one;4-(1,3-dihydroindol-2-ylidene)-1-(3,5-dimethoxyphenyl)-5-imino-2-(2-methoxyethyl)-2-methylpyrrolidin-3-one;4-(1,3-dihydroindol-2-ylidene)-1-(3,5-dimethoxyphenyl)-2-(2-methoxyethyl)-5-methyliminopyrrolidin-3-one;4-(1,3-dihydroindol-2-ylidene)-1-(3,5-dimethoxyphenyl)-2-(2-methoxyethyl)-2-methyl-5-methyliminopyrrolidin-3-one.

Molecular Properties

• Compound Name: 4-(1,3-dihydroindol-2-ylidene)-1-(3,5-dimethoxyphenyl)-2-(2-hydroxyethyl)-2-methyl-5-methyliminopyrrolidin-3-one;4-(1,3-dihydroindol-2-ylidene)-1-(3,5-dimethoxyphenyl)-2-(3-hydroxypropyl)-5-iminopyrrolidin-3-one;4-(1,3-dihydroindol-2-ylidene)-1-(3,5-dimethoxyphenyl)-5-imino-2-(2-methoxyethyl)-2-methylpyrrolidin-3-one;4-(1,3-dihydroindol-2-ylidene)-1-(3,5-dimethoxyphenyl)-2-(2-methoxyethyl)-5-methyliminopyrrolidin-3-one;4-(1,3-dihydroindol-2-ylidene)-1-(3,5-dimethoxyphenyl)-2-(2-methoxyethyl)-2-methyl-5-methyliminopyrrolidin-3-one
• PubChem CID: 159273950
• Molecular Formula: C120H135N15O20
• Molecular Weight: 2107.48 g/mol
• Exact Mass: 2106.00
• IUPAC Name: 4-(1,3-dihydroindol-2-ylidene)-1-(3,5-dimethoxyphenyl)-2-(2-hydroxyethyl)-2-methyl-5-methyliminopyrrolidin-3-one;4-(1,3-dihydroindol-2-ylidene)-1-(3,5-dimethoxyphenyl)-2-(3-hydroxypropyl)-5-iminopyrrolidin-3-one;4-(1,3-dihydroindol-2-ylidene)-1-(3,5-dimethoxyphenyl)-5-imino-2-(2-methoxyethyl)-2-methylpyrrolidin-3-one;4-(1,3-dihydroindol-2-ylidene)-1-(3,5-dimethoxyphenyl)-2-(2-methoxyethyl)-5-methyliminopyrrolidin-3-one;4-(1,3-dihydroindol-2-ylidene)-1-(3,5-dimethoxyphenyl)-2-(2-methoxyethyl)-2-methyl-5-methyliminopyrrolidin-3-one
• SMILES: C/N=C1/C(=C2Cc3ccccc3N2)C(=O)C(C)(CCO)N1c1cc(OC)cc(OC)c1.C/N=C1/C(=C2Cc3ccccc3N2)C(=O)C(C)(CCOC)N1c1cc(OC)cc(OC)c1.C/N=C1/C(=C2Cc3ccccc3N2)C(=O)C(CCOC)N1c1cc(OC)cc(OC)c1.[H]/N=C1/C(=C2Cc3ccccc3N2)C(=O)C(C)(CCOC)N1c1cc(OC)cc(OC)c1.[H]/N=C1/C(=C2Cc3ccccc3N2)C(=O)C(CCCO)N1c1cc(OC)cc(OC)c1
• InChI: InChI=1S/C25H29N3O4.3C24H27N3O4.C23H25N3O4/c1-25(10-11-30-3)23(29)22(21-12-16-8-6-7-9-20(16)27-21)24(26-2)28(25)17-13-18(31-4)15-19(14-17)32-5;1-24(9-10-29-2)22(28)21(20-11-15-7-5-6-8-19(15)26-20)23(25)27(24)16-12-17(30-3)14-18(13-16)31-4;1-24(9-10-28)22(29)21(20-11-15-7-5-6-8-19(15)26-20)23(25-2)27(24)16-12-17(30-3)14-18(13-16)31-4;1-25-24-22(20-11-15-7-5-6-8-19(15)26-20)23(28)21(9-10-29-2)27(24)16-12-17(30-3)14-18(13-16)31-4;1-29-16-11-15(12-17(13-16)30-2)26-20(8-5-9-27)22(28)21(23(26)24)19-10-14-6-3-4-7-18(14)25-19/h6-9,13-15,27H,10-12H2,1-5H3;5-8,12-14,25-26H,9-11H2,1-4H3;5-8,12-14,26,28H,9-11H2,1-4H3;5-8,12-14,21,26H,9-11H2,1-4H3;3-4,6-7,11-13,20,24-25,27H,5,8-10H2,1-2H3/b22-21?,26-24-;2*21-20?,25-23-;22-20?,25-24-;21-19?,24-23-
• InChIKey: QZRZIBSQHMYCLA-PACVXNPYSA-N
• XLogP: 17.39
• TPSA: 406.93 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 30
• Rotatable Bonds: 29
• Heavy Atoms: 155
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2107.48
LogP ≤ 5	17.39
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	30

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-(1,3-dihydroindol-2-ylidene)-1-(3,5-dimethoxyphenyl)-2-(2-hydroxyethyl)-2-methyl-5-methyliminopyrrolidin-3-one;4-(1,3-dihydroindol-2-ylidene)-1-(3,5-dimethoxyphenyl)-2-(3-hydroxypropyl)-5-iminopyrrolidin-3-one;4-(1,3-dihydroindol-2-ylidene)-1-(3,5-dimethoxyphenyl)-5-imino-2-(2-methoxyethyl)-2-methylpyrrolidin-3-one;4-(1,3-dihydroindol-2-ylidene)-1-(3,5-dimethoxyphenyl)-2-(2-methoxyethyl)-5-methyliminopyrrolidin-3-one;4-(1,3-dihydroindol-2-ylidene)-1-(3,5-dimethoxyphenyl)-2-(2-methoxyethyl)-2-methyl-5-methyliminopyrrolidin-3-one?

The IUPAC name of 4-(1,3-dihydroindol-2-ylidene)-1-(3,5-dimethoxyphenyl)-2-(2-hydroxyethyl)-2-methyl-5-methyliminopyrrolidin-3-one;4-(1,3-dihydroindol-2-ylidene)-1-(3,5-dimethoxyphenyl)-2-(3-hydroxypropyl)-5-iminopyrrolidin-3-one;4-(1,3-dihydroindol-2-ylidene)-1-(3,5-dimethoxyphenyl)-5-imino-2-(2-methoxyethyl)-2-methylpyrrolidin-3-one;4-(1,3-dihydroindol-2-ylidene)-1-(3,5-dimethoxyphenyl)-2-(2-methoxyethyl)-5-methyliminopyrrolidin-3-one;4-(1,3-dihydroindol-2-ylidene)-1-(3,5-dimethoxyphenyl)-2-(2-methoxyethyl)-2-methyl-5-methyliminopyrrolidin-3-one (CID 159273950) is 4-(1,3-dihydroindol-2-ylidene)-1-(3,5-dimethoxyphenyl)-2-(2-hydroxyethyl)-2-methyl-5-methyliminopyrrolidin-3-one;4-(1,3-dihydroindol-2-ylidene)-1-(3,5-dimethoxyphenyl)-2-(3-hydroxypropyl)-5-iminopyrrolidin-3-one;4-(1,3-dihydroindol-2-ylidene)-1-(3,5-dimethoxyphenyl)-5-imino-2-(2-methoxyethyl)-2-methylpyrrolidin-3-one;4-(1,3-dihydroindol-2-ylidene)-1-(3,5-dimethoxyphenyl)-2-(2-methoxyethyl)-5-methyliminopyrrolidin-3-one;4-(1,3-dihydroindol-2-ylidene)-1-(3,5-dimethoxyphenyl)-2-(2-methoxyethyl)-2-methyl-5-methyliminopyrrolidin-3-one.

What is the SMILES notation for 4-(1,3-dihydroindol-2-ylidene)-1-(3,5-dimethoxyphenyl)-2-(2-hydroxyethyl)-2-methyl-5-methyliminopyrrolidin-3-one;4-(1,3-dihydroindol-2-ylidene)-1-(3,5-dimethoxyphenyl)-2-(3-hydroxypropyl)-5-iminopyrrolidin-3-one;4-(1,3-dihydroindol-2-ylidene)-1-(3,5-dimethoxyphenyl)-5-imino-2-(2-methoxyethyl)-2-methylpyrrolidin-3-one;4-(1,3-dihydroindol-2-ylidene)-1-(3,5-dimethoxyphenyl)-2-(2-methoxyethyl)-5-methyliminopyrrolidin-3-one;4-(1,3-dihydroindol-2-ylidene)-1-(3,5-dimethoxyphenyl)-2-(2-methoxyethyl)-2-methyl-5-methyliminopyrrolidin-3-one?

The canonical SMILES for 4-(1,3-dihydroindol-2-ylidene)-1-(3,5-dimethoxyphenyl)-2-(2-hydroxyethyl)-2-methyl-5-methyliminopyrrolidin-3-one;4-(1,3-dihydroindol-2-ylidene)-1-(3,5-dimethoxyphenyl)-2-(3-hydroxypropyl)-5-iminopyrrolidin-3-one;4-(1,3-dihydroindol-2-ylidene)-1-(3,5-dimethoxyphenyl)-5-imino-2-(2-methoxyethyl)-2-methylpyrrolidin-3-one;4-(1,3-dihydroindol-2-ylidene)-1-(3,5-dimethoxyphenyl)-2-(2-methoxyethyl)-5-methyliminopyrrolidin-3-one;4-(1,3-dihydroindol-2-ylidene)-1-(3,5-dimethoxyphenyl)-2-(2-methoxyethyl)-2-methyl-5-methyliminopyrrolidin-3-one is C/N=C1/C(=C2Cc3ccccc3N2)C(=O)C(C)(CCO)N1c1cc(OC)cc(OC)c1.C/N=C1/C(=C2Cc3ccccc3N2)C(=O)C(C)(CCOC)N1c1cc(OC)cc(OC)c1.C/N=C1/C(=C2Cc3ccccc3N2)C(=O)C(CCOC)N1c1cc(OC)cc(OC)c1.[H]/N=C1/C(=C2Cc3ccccc3N2)C(=O)C(C)(CCOC)N1c1cc(OC)cc(OC)c1.[H]/N=C1/C(=C2Cc3ccccc3N2)C(=O)C(CCCO)N1c1cc(OC)cc(OC)c1.

What is the InChIKey of 4-(1,3-dihydroindol-2-ylidene)-1-(3,5-dimethoxyphenyl)-2-(2-hydroxyethyl)-2-methyl-5-methyliminopyrrolidin-3-one;4-(1,3-dihydroindol-2-ylidene)-1-(3,5-dimethoxyphenyl)-2-(3-hydroxypropyl)-5-iminopyrrolidin-3-one;4-(1,3-dihydroindol-2-ylidene)-1-(3,5-dimethoxyphenyl)-5-imino-2-(2-methoxyethyl)-2-methylpyrrolidin-3-one;4-(1,3-dihydroindol-2-ylidene)-1-(3,5-dimethoxyphenyl)-2-(2-methoxyethyl)-5-methyliminopyrrolidin-3-one;4-(1,3-dihydroindol-2-ylidene)-1-(3,5-dimethoxyphenyl)-2-(2-methoxyethyl)-2-methyl-5-methyliminopyrrolidin-3-one?

The InChIKey is QZRZIBSQHMYCLA-PACVXNPYSA-N. The full InChI is InChI=1S/C25H29N3O4.3C24H27N3O4.C23H25N3O4/c1-25(10-11-30-3)23(29)22(21-12-16-8-6-7-9-20(16)27-21)24(26-2)28(25)17-13-18(31-4)15-19(14-17)32-5;1-24(9-10-29-2)22(28)21(20-11-15-7-5-6-8-19(15)26-20)23(25)27(24)16-12-17(30-3)14-18(13-16)31-4;1-24(9-10-28)22(29)21(20-11-15-7-5-6-8-19(15)26-20)23(25-2)27(24)16-12-17(30-3)14-18(13-16)31-4;1-25-24-22(20-11-15-7-5-6-8-19(15)26-20)23(28)21(9-10-29-2)27(24)16-12-17(30-3)14-18(13-16)31-4;1-29-16-11-15(12-17(13-16)30-2)26-20(8-5-9-27)22(28)21(23(26)24)19-10-14-6-3-4-7-18(14)25-19/h6-9,13-15,27H,10-12H2,1-5H3;5-8,12-14,25-26H,9-11H2,1-4H3;5-8,12-14,26,28H,9-11H2,1-4H3;5-8,12-14,21,26H,9-11H2,1-4H3;3-4,6-7,11-13,20,24-25,27H,5,8-10H2,1-2H3/b22-21?,26-24-;2*21-20?,25-23-;22-20?,25-24-;21-19?,24-23-.

What are the key properties of 4-(1,3-dihydroindol-2-ylidene)-1-(3,5-dimethoxyphenyl)-2-(2-hydroxyethyl)-2-methyl-5-methyliminopyrrolidin-3-one;4-(1,3-dihydroindol-2-ylidene)-1-(3,5-dimethoxyphenyl)-2-(3-hydroxypropyl)-5-iminopyrrolidin-3-one;4-(1,3-dihydroindol-2-ylidene)-1-(3,5-dimethoxyphenyl)-5-imino-2-(2-methoxyethyl)-2-methylpyrrolidin-3-one;4-(1,3-dihydroindol-2-ylidene)-1-(3,5-dimethoxyphenyl)-2-(2-methoxyethyl)-5-methyliminopyrrolidin-3-one;4-(1,3-dihydroindol-2-ylidene)-1-(3,5-dimethoxyphenyl)-2-(2-methoxyethyl)-2-methyl-5-methyliminopyrrolidin-3-one?

4-(1,3-dihydroindol-2-ylidene)-1-(3,5-dimethoxyphenyl)-2-(2-hydroxyethyl)-2-methyl-5-methyliminopyrrolidin-3-one;4-(1,3-dihydroindol-2-ylidene)-1-(3,5-dimethoxyphenyl)-2-(3-hydroxypropyl)-5-iminopyrrolidin-3-one;4-(1,3-dihydroindol-2-ylidene)-1-(3,5-dimethoxyphenyl)-5-imino-2-(2-methoxyethyl)-2-methylpyrrolidin-3-one;4-(1,3-dihydroindol-2-ylidene)-1-(3,5-dimethoxyphenyl)-2-(2-methoxyethyl)-5-methyliminopyrrolidin-3-one;4-(1,3-dihydroindol-2-ylidene)-1-(3,5-dimethoxyphenyl)-2-(2-methoxyethyl)-2-methyl-5-methyliminopyrrolidin-3-one has a molecular weight of 2107.48 g/mol, XLogP of 17.39, 29 rotatable bonds, 9 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(1,3-dihydroindol-2-ylidene)-1-(3,5-dimethoxyphenyl)-2-(2-hydroxyethyl)-2-methyl-5-methyliminopyrrolidin-3-one;4-(1,3-dihydroindol-2-ylidene)-1-(3,5-dimethoxyphenyl)-2-(3-hydroxypropyl)-5-iminopyrrolidin-3-one;4-(1,3-dihydroindol-2-ylidene)-1-(3,5-dimethoxyphenyl)-5-imino-2-(2-methoxyethyl)-2-methylpyrrolidin-3-one;4-(1,3-dihydroindol-2-ylidene)-1-(3,5-dimethoxyphenyl)-2-(2-methoxyethyl)-5-methyliminopyrrolidin-3-one;4-(1,3-dihydroindol-2-ylidene)-1-(3,5-dimethoxyphenyl)-2-(2-methoxyethyl)-2-methyl-5-methyliminopyrrolidin-3-one is sourced from PubChem (CID 159273950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).