ethyl 2-cyclopropyl-1-(2-morpholin-4-ylethyl)indole-5-carboxylate;methyl 2-bromo-1H-indene-5-carboxylate;methyl 2-bromo-1-(2-morpholin-4-ylethyl)indole-5-carboxylate;methyl 2-oxo-1,3-dihydroindene-5-carboxylate

C58H64Br2N4O11 — CID 158312606

About ethyl 2-cyclopropyl-1-(2-morpholin-4-ylethyl)indole-5-carboxylate;methyl 2-bromo-1H-indene-5-carboxylate;methyl 2-bromo-1-(2-morpholin-4-ylethyl)indole-5-carboxylate;methyl 2-oxo-1,3-dihydroindene-5-carboxylate

ethyl 2-cyclopropyl-1-(2-morpholin-4-ylethyl)indole-5-carboxylate;methyl 2-bromo-1H-indene-5-carboxylate;methyl 2-bromo-1-(2-morpholin-4-ylethyl)indole-5-carboxylate;methyl 2-oxo-1,3-dihydroindene-5-carboxylate (PubChem CID 158312606) has the molecular formula C58H64Br2N4O11 and a molecular weight of 1152.97 g/mol. Its IUPAC name is ethyl 2-cyclopropyl-1-(2-morpholin-4-ylethyl)indole-5-carboxylate;methyl 2-bromo-1H-indene-5-carboxylate;methyl 2-bromo-1-(2-morpholin-4-ylethyl)indole-5-carboxylate;methyl 2-oxo-1,3-dihydroindene-5-carboxylate.

Molecular Properties

• Compound Name: ethyl 2-cyclopropyl-1-(2-morpholin-4-ylethyl)indole-5-carboxylate;methyl 2-bromo-1H-indene-5-carboxylate;methyl 2-bromo-1-(2-morpholin-4-ylethyl)indole-5-carboxylate;methyl 2-oxo-1,3-dihydroindene-5-carboxylate
• PubChem CID: 158312606
• Molecular Formula: C58H64Br2N4O11
• Molecular Weight: 1152.97 g/mol
• Exact Mass: 1150.29
• IUPAC Name: ethyl 2-cyclopropyl-1-(2-morpholin-4-ylethyl)indole-5-carboxylate;methyl 2-bromo-1H-indene-5-carboxylate;methyl 2-bromo-1-(2-morpholin-4-ylethyl)indole-5-carboxylate;methyl 2-oxo-1,3-dihydroindene-5-carboxylate
• SMILES: CCOC(=O)c1ccc2c(c1)cc(C1CC1)n2CCN1CCOCC1.COC(=O)c1ccc2c(c1)C=C(Br)C2.COC(=O)c1ccc2c(c1)CC(=O)C2.COC(=O)c1ccc2c(c1)cc(Br)n2CCN1CCOCC1
• InChI: InChI=1S/C20H26N2O3.C16H19BrN2O3.C11H9BrO2.C11H10O3/c1-2-25-20(23)16-5-6-18-17(13-16)14-19(15-3-4-15)22(18)8-7-21-9-11-24-12-10-21;1-21-16(20)12-2-3-14-13(10-12)11-15(17)19(14)5-4-18-6-8-22-9-7-18;2*1-14-11(13)8-3-2-7-5-10(12)6-9(7)4-8/h5-6,13-15H,2-4,7-12H2,1H3;2-3,10-11H,4-9H2,1H3;2-4,6H,5H2,1H3;2-4H,5-6H2,1H3
• InChIKey: GNVZDADCKHVFBO-UHFFFAOYSA-N
• XLogP: 9.46
• TPSA: 157.07 Ų
• H-Bond Acceptors: 15
• Rotatable Bonds: 12
• Heavy Atoms: 75
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1152.97
LogP ≤ 5	9.46
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	15

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of ethyl 2-cyclopropyl-1-(2-morpholin-4-ylethyl)indole-5-carboxylate;methyl 2-bromo-1H-indene-5-carboxylate;methyl 2-bromo-1-(2-morpholin-4-ylethyl)indole-5-carboxylate;methyl 2-oxo-1,3-dihydroindene-5-carboxylate?

The IUPAC name of ethyl 2-cyclopropyl-1-(2-morpholin-4-ylethyl)indole-5-carboxylate;methyl 2-bromo-1H-indene-5-carboxylate;methyl 2-bromo-1-(2-morpholin-4-ylethyl)indole-5-carboxylate;methyl 2-oxo-1,3-dihydroindene-5-carboxylate (CID 158312606) is ethyl 2-cyclopropyl-1-(2-morpholin-4-ylethyl)indole-5-carboxylate;methyl 2-bromo-1H-indene-5-carboxylate;methyl 2-bromo-1-(2-morpholin-4-ylethyl)indole-5-carboxylate;methyl 2-oxo-1,3-dihydroindene-5-carboxylate.

What is the SMILES notation for ethyl 2-cyclopropyl-1-(2-morpholin-4-ylethyl)indole-5-carboxylate;methyl 2-bromo-1H-indene-5-carboxylate;methyl 2-bromo-1-(2-morpholin-4-ylethyl)indole-5-carboxylate;methyl 2-oxo-1,3-dihydroindene-5-carboxylate?

The canonical SMILES for ethyl 2-cyclopropyl-1-(2-morpholin-4-ylethyl)indole-5-carboxylate;methyl 2-bromo-1H-indene-5-carboxylate;methyl 2-bromo-1-(2-morpholin-4-ylethyl)indole-5-carboxylate;methyl 2-oxo-1,3-dihydroindene-5-carboxylate is CCOC(=O)c1ccc2c(c1)cc(C1CC1)n2CCN1CCOCC1.COC(=O)c1ccc2c(c1)C=C(Br)C2.COC(=O)c1ccc2c(c1)CC(=O)C2.COC(=O)c1ccc2c(c1)cc(Br)n2CCN1CCOCC1.

What is the InChIKey of ethyl 2-cyclopropyl-1-(2-morpholin-4-ylethyl)indole-5-carboxylate;methyl 2-bromo-1H-indene-5-carboxylate;methyl 2-bromo-1-(2-morpholin-4-ylethyl)indole-5-carboxylate;methyl 2-oxo-1,3-dihydroindene-5-carboxylate?

The InChIKey is GNVZDADCKHVFBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O3.C16H19BrN2O3.C11H9BrO2.C11H10O3/c1-2-25-20(23)16-5-6-18-17(13-16)14-19(15-3-4-15)22(18)8-7-21-9-11-24-12-10-21;1-21-16(20)12-2-3-14-13(10-12)11-15(17)19(14)5-4-18-6-8-22-9-7-18;2*1-14-11(13)8-3-2-7-5-10(12)6-9(7)4-8/h5-6,13-15H,2-4,7-12H2,1H3;2-3,10-11H,4-9H2,1H3;2-4,6H,5H2,1H3;2-4H,5-6H2,1H3.

What are the key properties of ethyl 2-cyclopropyl-1-(2-morpholin-4-ylethyl)indole-5-carboxylate;methyl 2-bromo-1H-indene-5-carboxylate;methyl 2-bromo-1-(2-morpholin-4-ylethyl)indole-5-carboxylate;methyl 2-oxo-1,3-dihydroindene-5-carboxylate?

ethyl 2-cyclopropyl-1-(2-morpholin-4-ylethyl)indole-5-carboxylate;methyl 2-bromo-1H-indene-5-carboxylate;methyl 2-bromo-1-(2-morpholin-4-ylethyl)indole-5-carboxylate;methyl 2-oxo-1,3-dihydroindene-5-carboxylate has a molecular weight of 1152.97 g/mol, XLogP of 9.46, 12 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for ethyl 2-cyclopropyl-1-(2-morpholin-4-ylethyl)indole-5-carboxylate;methyl 2-bromo-1H-indene-5-carboxylate;methyl 2-bromo-1-(2-morpholin-4-ylethyl)indole-5-carboxylate;methyl 2-oxo-1,3-dihydroindene-5-carboxylate is sourced from PubChem (CID 158312606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).