(2R)-4-(1,3-dihydroindol-2-ylidene)-1-(3,5-dimethoxyphenyl)-5-imino-2-phenylpyrrolidin-3-one

C26H23N3O3 — CID 158293409

About (2R)-4-(1,3-dihydroindol-2-ylidene)-1-(3,5-dimethoxyphenyl)-5-imino-2-phenylpyrrolidin-3-one

(2R)-4-(1,3-dihydroindol-2-ylidene)-1-(3,5-dimethoxyphenyl)-5-imino-2-phenylpyrrolidin-3-one (PubChem CID 158293409) has the molecular formula C26H23N3O3 and a molecular weight of 425.49 g/mol. Its IUPAC name is (2R)-4-(1,3-dihydroindol-2-ylidene)-1-(3,5-dimethoxyphenyl)-5-imino-2-phenylpyrrolidin-3-one.

Molecular Properties

• Compound Name: (2R)-4-(1,3-dihydroindol-2-ylidene)-1-(3,5-dimethoxyphenyl)-5-imino-2-phenylpyrrolidin-3-one
• PubChem CID: 158293409
• Molecular Formula: C26H23N3O3
• Molecular Weight: 425.49 g/mol
• Exact Mass: 425.17
• IUPAC Name: (2R)-4-(1,3-dihydroindol-2-ylidene)-1-(3,5-dimethoxyphenyl)-5-imino-2-phenylpyrrolidin-3-one
• SMILES: [H]/N=C1/C(=C2Cc3ccccc3N2)C(=O)[C@@H](c2ccccc2)N1c1cc(OC)cc(OC)c1
• InChI: InChI=1S/C26H23N3O3/c1-31-19-13-18(14-20(15-19)32-2)29-24(16-8-4-3-5-9-16)25(30)23(26(29)27)22-12-17-10-6-7-11-21(17)28-22/h3-11,13-15,24,27-28H,12H2,1-2H3/b23-22?,27-26-/t24-/m1/s1
• InChIKey: YKTGIDSBFZQWDZ-BEVGWEBHSA-N
• XLogP: 4.73
• TPSA: 74.65 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	425.49
LogP ≤ 5	4.73
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

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 (2R)-4-(1,3-dihydroindol-2-ylidene)-1-(3,5-dimethoxyphenyl)-5-imino-2-phenylpyrrolidin-3-one?

The IUPAC name of (2R)-4-(1,3-dihydroindol-2-ylidene)-1-(3,5-dimethoxyphenyl)-5-imino-2-phenylpyrrolidin-3-one (CID 158293409) is (2R)-4-(1,3-dihydroindol-2-ylidene)-1-(3,5-dimethoxyphenyl)-5-imino-2-phenylpyrrolidin-3-one.

What is the SMILES notation for (2R)-4-(1,3-dihydroindol-2-ylidene)-1-(3,5-dimethoxyphenyl)-5-imino-2-phenylpyrrolidin-3-one?

The canonical SMILES for (2R)-4-(1,3-dihydroindol-2-ylidene)-1-(3,5-dimethoxyphenyl)-5-imino-2-phenylpyrrolidin-3-one is [H]/N=C1/C(=C2Cc3ccccc3N2)C(=O)[C@@H](c2ccccc2)N1c1cc(OC)cc(OC)c1.

What is the InChIKey of (2R)-4-(1,3-dihydroindol-2-ylidene)-1-(3,5-dimethoxyphenyl)-5-imino-2-phenylpyrrolidin-3-one?

The InChIKey is YKTGIDSBFZQWDZ-BEVGWEBHSA-N. The full InChI is InChI=1S/C26H23N3O3/c1-31-19-13-18(14-20(15-19)32-2)29-24(16-8-4-3-5-9-16)25(30)23(26(29)27)22-12-17-10-6-7-11-21(17)28-22/h3-11,13-15,24,27-28H,12H2,1-2H3/b23-22?,27-26-/t24-/m1/s1.

What are the key properties of (2R)-4-(1,3-dihydroindol-2-ylidene)-1-(3,5-dimethoxyphenyl)-5-imino-2-phenylpyrrolidin-3-one?

(2R)-4-(1,3-dihydroindol-2-ylidene)-1-(3,5-dimethoxyphenyl)-5-imino-2-phenylpyrrolidin-3-one has a molecular weight of 425.49 g/mol, XLogP of 4.73, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-4-(1,3-dihydroindol-2-ylidene)-1-(3,5-dimethoxyphenyl)-5-imino-2-phenylpyrrolidin-3-one is sourced from PubChem (CID 158293409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).