[1-(1-methoxyethenyl)cyclopropyl] 1-[(1R)-1-phenylethyl]pyrrole-2-carboxylate;[(2S)-1-methoxy-3-methyl-1-oxobutan-2-yl] 1-[(1R)-1-phenylethyl]pyrrole-2-carboxylate;[(2R)-1-methoxy-3-methyl-1-oxobutan-2-yl] 1-[(1R)-1-phenylethyl]pyrrole-2-carboxylate;(1-methoxy-2-methyl-1-oxopropan-2-yl) 1-[(1R)-1-phenylethyl]pyrrole-2-carboxylate;[(2S)-1-methoxy-1-oxopropan-2-yl] 1-[(1R)-1-phenylethyl]pyrrole-2-carboxylate;[(2R)-1-methoxy-1-oxopropan-2-yl] 1-[(1R)-1-phenylethyl]pyrrole-2-carboxylate

C109H126N6O23 — CID 159338312

About [1-(1-methoxyethenyl)cyclopropyl] 1-[(1R)-1-phenylethyl]pyrrole-2-carboxylate;[(2S)-1-methoxy-3-methyl-1-oxobutan-2-yl] 1-[(1R)-1-phenylethyl]pyrrole-2-carboxylate;[(2R)-1-methoxy-3-methyl-1-oxobutan-2-yl] 1-[(1R)-1-phenylethyl]pyrrole-2-carboxylate;(1-methoxy-2-methyl-1-oxopropan-2-yl) 1-[(1R)-1-phenylethyl]pyrrole-2-carboxylate;[(2S)-1-methoxy-1-oxopropan-2-yl] 1-[(1R)-1-phenylethyl]pyrrole-2-carboxylate;[(2R)-1-methoxy-1-oxopropan-2-yl] 1-[(1R)-1-phenylethyl]pyrrole-2-carboxylate

[1-(1-methoxyethenyl)cyclopropyl] 1-[(1R)-1-phenylethyl]pyrrole-2-carboxylate;[(2S)-1-methoxy-3-methyl-1-oxobutan-2-yl] 1-[(1R)-1-phenylethyl]pyrrole-2-carboxylate;[(2R)-1-methoxy-3-methyl-1-oxobutan-2-yl] 1-[(1R)-1-phenylethyl]pyrrole-2-carboxylate;(1-methoxy-2-methyl-1-oxopropan-2-yl) 1-[(1R)-1-phenylethyl]pyrrole-2-carboxylate;[(2S)-1-methoxy-1-oxopropan-2-yl] 1-[(1R)-1-phenylethyl]pyrrole-2-carboxylate;[(2R)-1-methoxy-1-oxopropan-2-yl] 1-[(1R)-1-phenylethyl]pyrrole-2-carboxylate (PubChem CID 159338312) has the molecular formula C109H126N6O23 and a molecular weight of 1888.23 g/mol. Its IUPAC name is [1-(1-methoxyethenyl)cyclopropyl] 1-[(1R)-1-phenylethyl]pyrrole-2-carboxylate;[(2S)-1-methoxy-3-methyl-1-oxobutan-2-yl] 1-[(1R)-1-phenylethyl]pyrrole-2-carboxylate;[(2R)-1-methoxy-3-methyl-1-oxobutan-2-yl] 1-[(1R)-1-phenylethyl]pyrrole-2-carboxylate;(1-methoxy-2-methyl-1-oxopropan-2-yl) 1-[(1R)-1-phenylethyl]pyrrole-2-carboxylate;[(2S)-1-methoxy-1-oxopropan-2-yl] 1-[(1R)-1-phenylethyl]pyrrole-2-carboxylate;[(2R)-1-methoxy-1-oxopropan-2-yl] 1-[(1R)-1-phenylethyl]pyrrole-2-carboxylate.

Molecular Properties

• Compound Name: [1-(1-methoxyethenyl)cyclopropyl] 1-[(1R)-1-phenylethyl]pyrrole-2-carboxylate;[(2S)-1-methoxy-3-methyl-1-oxobutan-2-yl] 1-[(1R)-1-phenylethyl]pyrrole-2-carboxylate;[(2R)-1-methoxy-3-methyl-1-oxobutan-2-yl] 1-[(1R)-1-phenylethyl]pyrrole-2-carboxylate;(1-methoxy-2-methyl-1-oxopropan-2-yl) 1-[(1R)-1-phenylethyl]pyrrole-2-carboxylate;[(2S)-1-methoxy-1-oxopropan-2-yl] 1-[(1R)-1-phenylethyl]pyrrole-2-carboxylate;[(2R)-1-methoxy-1-oxopropan-2-yl] 1-[(1R)-1-phenylethyl]pyrrole-2-carboxylate
• PubChem CID: 159338312
• Molecular Formula: C109H126N6O23
• Molecular Weight: 1888.23 g/mol
• Exact Mass: 1886.89
• IUPAC Name: [1-(1-methoxyethenyl)cyclopropyl] 1-[(1R)-1-phenylethyl]pyrrole-2-carboxylate;[(2S)-1-methoxy-3-methyl-1-oxobutan-2-yl] 1-[(1R)-1-phenylethyl]pyrrole-2-carboxylate;[(2R)-1-methoxy-3-methyl-1-oxobutan-2-yl] 1-[(1R)-1-phenylethyl]pyrrole-2-carboxylate;(1-methoxy-2-methyl-1-oxopropan-2-yl) 1-[(1R)-1-phenylethyl]pyrrole-2-carboxylate;[(2S)-1-methoxy-1-oxopropan-2-yl] 1-[(1R)-1-phenylethyl]pyrrole-2-carboxylate;[(2R)-1-methoxy-1-oxopropan-2-yl] 1-[(1R)-1-phenylethyl]pyrrole-2-carboxylate
• SMILES: C=C(OC)C1(OC(=O)c2cccn2[C@H](C)c2ccccc2)CC1.COC(=O)C(C)(C)OC(=O)c1cccn1[C@H](C)c1ccccc1.COC(=O)[C@@H](C)OC(=O)c1cccn1[C@H](C)c1ccccc1.COC(=O)[C@@H](OC(=O)c1cccn1[C@H](C)c1ccccc1)C(C)C.COC(=O)[C@H](C)OC(=O)c1cccn1[C@H](C)c1ccccc1.COC(=O)[C@H](OC(=O)c1cccn1[C@H](C)c1ccccc1)C(C)C
• InChI: InChI=1S/2C19H23NO4.C19H21NO3.C18H21NO4.2C17H19NO4/c2*1-13(2)17(19(22)23-4)24-18(21)16-11-8-12-20(16)14(3)15-9-6-5-7-10-15;1-14(16-8-5-4-6-9-16)20-13-7-10-17(20)18(21)23-19(11-12-19)15(2)22-3;1-13(14-9-6-5-7-10-14)19-12-8-11-15(19)16(20)23-18(2,3)17(21)22-4;2*1-12(14-8-5-4-6-9-14)18-11-7-10-15(18)17(20)22-13(2)16(19)21-3/h2*5-14,17H,1-4H3;4-10,13-14H,2,11-12H2,1,3H3;5-13H,1-4H3;2*4-13H,1-3H3/t14-,17+;14-,17-;14-;13-;12-,13+;12-,13-/m111111/s1
• InChIKey: LFVBEUMXUSZTOK-JZYDGELSSA-N
• XLogP: 19.69
• TPSA: 328.11 Ų
• H-Bond Acceptors: 29
• Rotatable Bonds: 33
• Heavy Atoms: 138
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1888.23
LogP ≤ 5	19.69
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	29

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [1-(1-methoxyethenyl)cyclopropyl] 1-[(1R)-1-phenylethyl]pyrrole-2-carboxylate;[(2S)-1-methoxy-3-methyl-1-oxobutan-2-yl] 1-[(1R)-1-phenylethyl]pyrrole-2-carboxylate;[(2R)-1-methoxy-3-methyl-1-oxobutan-2-yl] 1-[(1R)-1-phenylethyl]pyrrole-2-carboxylate;(1-methoxy-2-methyl-1-oxopropan-2-yl) 1-[(1R)-1-phenylethyl]pyrrole-2-carboxylate;[(2S)-1-methoxy-1-oxopropan-2-yl] 1-[(1R)-1-phenylethyl]pyrrole-2-carboxylate;[(2R)-1-methoxy-1-oxopropan-2-yl] 1-[(1R)-1-phenylethyl]pyrrole-2-carboxylate?

The IUPAC name of [1-(1-methoxyethenyl)cyclopropyl] 1-[(1R)-1-phenylethyl]pyrrole-2-carboxylate;[(2S)-1-methoxy-3-methyl-1-oxobutan-2-yl] 1-[(1R)-1-phenylethyl]pyrrole-2-carboxylate;[(2R)-1-methoxy-3-methyl-1-oxobutan-2-yl] 1-[(1R)-1-phenylethyl]pyrrole-2-carboxylate;(1-methoxy-2-methyl-1-oxopropan-2-yl) 1-[(1R)-1-phenylethyl]pyrrole-2-carboxylate;[(2S)-1-methoxy-1-oxopropan-2-yl] 1-[(1R)-1-phenylethyl]pyrrole-2-carboxylate;[(2R)-1-methoxy-1-oxopropan-2-yl] 1-[(1R)-1-phenylethyl]pyrrole-2-carboxylate (CID 159338312) is [1-(1-methoxyethenyl)cyclopropyl] 1-[(1R)-1-phenylethyl]pyrrole-2-carboxylate;[(2S)-1-methoxy-3-methyl-1-oxobutan-2-yl] 1-[(1R)-1-phenylethyl]pyrrole-2-carboxylate;[(2R)-1-methoxy-3-methyl-1-oxobutan-2-yl] 1-[(1R)-1-phenylethyl]pyrrole-2-carboxylate;(1-methoxy-2-methyl-1-oxopropan-2-yl) 1-[(1R)-1-phenylethyl]pyrrole-2-carboxylate;[(2S)-1-methoxy-1-oxopropan-2-yl] 1-[(1R)-1-phenylethyl]pyrrole-2-carboxylate;[(2R)-1-methoxy-1-oxopropan-2-yl] 1-[(1R)-1-phenylethyl]pyrrole-2-carboxylate.

What is the SMILES notation for [1-(1-methoxyethenyl)cyclopropyl] 1-[(1R)-1-phenylethyl]pyrrole-2-carboxylate;[(2S)-1-methoxy-3-methyl-1-oxobutan-2-yl] 1-[(1R)-1-phenylethyl]pyrrole-2-carboxylate;[(2R)-1-methoxy-3-methyl-1-oxobutan-2-yl] 1-[(1R)-1-phenylethyl]pyrrole-2-carboxylate;(1-methoxy-2-methyl-1-oxopropan-2-yl) 1-[(1R)-1-phenylethyl]pyrrole-2-carboxylate;[(2S)-1-methoxy-1-oxopropan-2-yl] 1-[(1R)-1-phenylethyl]pyrrole-2-carboxylate;[(2R)-1-methoxy-1-oxopropan-2-yl] 1-[(1R)-1-phenylethyl]pyrrole-2-carboxylate?

The canonical SMILES for [1-(1-methoxyethenyl)cyclopropyl] 1-[(1R)-1-phenylethyl]pyrrole-2-carboxylate;[(2S)-1-methoxy-3-methyl-1-oxobutan-2-yl] 1-[(1R)-1-phenylethyl]pyrrole-2-carboxylate;[(2R)-1-methoxy-3-methyl-1-oxobutan-2-yl] 1-[(1R)-1-phenylethyl]pyrrole-2-carboxylate;(1-methoxy-2-methyl-1-oxopropan-2-yl) 1-[(1R)-1-phenylethyl]pyrrole-2-carboxylate;[(2S)-1-methoxy-1-oxopropan-2-yl] 1-[(1R)-1-phenylethyl]pyrrole-2-carboxylate;[(2R)-1-methoxy-1-oxopropan-2-yl] 1-[(1R)-1-phenylethyl]pyrrole-2-carboxylate is C=C(OC)C1(OC(=O)c2cccn2[C@H](C)c2ccccc2)CC1.COC(=O)C(C)(C)OC(=O)c1cccn1[C@H](C)c1ccccc1.COC(=O)[C@@H](C)OC(=O)c1cccn1[C@H](C)c1ccccc1.COC(=O)[C@@H](OC(=O)c1cccn1[C@H](C)c1ccccc1)C(C)C.COC(=O)[C@H](C)OC(=O)c1cccn1[C@H](C)c1ccccc1.COC(=O)[C@H](OC(=O)c1cccn1[C@H](C)c1ccccc1)C(C)C.

What is the InChIKey of [1-(1-methoxyethenyl)cyclopropyl] 1-[(1R)-1-phenylethyl]pyrrole-2-carboxylate;[(2S)-1-methoxy-3-methyl-1-oxobutan-2-yl] 1-[(1R)-1-phenylethyl]pyrrole-2-carboxylate;[(2R)-1-methoxy-3-methyl-1-oxobutan-2-yl] 1-[(1R)-1-phenylethyl]pyrrole-2-carboxylate;(1-methoxy-2-methyl-1-oxopropan-2-yl) 1-[(1R)-1-phenylethyl]pyrrole-2-carboxylate;[(2S)-1-methoxy-1-oxopropan-2-yl] 1-[(1R)-1-phenylethyl]pyrrole-2-carboxylate;[(2R)-1-methoxy-1-oxopropan-2-yl] 1-[(1R)-1-phenylethyl]pyrrole-2-carboxylate?

The InChIKey is LFVBEUMXUSZTOK-JZYDGELSSA-N. The full InChI is InChI=1S/2C19H23NO4.C19H21NO3.C18H21NO4.2C17H19NO4/c2*1-13(2)17(19(22)23-4)24-18(21)16-11-8-12-20(16)14(3)15-9-6-5-7-10-15;1-14(16-8-5-4-6-9-16)20-13-7-10-17(20)18(21)23-19(11-12-19)15(2)22-3;1-13(14-9-6-5-7-10-14)19-12-8-11-15(19)16(20)23-18(2,3)17(21)22-4;2*1-12(14-8-5-4-6-9-14)18-11-7-10-15(18)17(20)22-13(2)16(19)21-3/h2*5-14,17H,1-4H3;4-10,13-14H,2,11-12H2,1,3H3;5-13H,1-4H3;2*4-13H,1-3H3/t14-,17+;14-,17-;14-;13-;12-,13+;12-,13-/m111111/s1.

What are the key properties of [1-(1-methoxyethenyl)cyclopropyl] 1-[(1R)-1-phenylethyl]pyrrole-2-carboxylate;[(2S)-1-methoxy-3-methyl-1-oxobutan-2-yl] 1-[(1R)-1-phenylethyl]pyrrole-2-carboxylate;[(2R)-1-methoxy-3-methyl-1-oxobutan-2-yl] 1-[(1R)-1-phenylethyl]pyrrole-2-carboxylate;(1-methoxy-2-methyl-1-oxopropan-2-yl) 1-[(1R)-1-phenylethyl]pyrrole-2-carboxylate;[(2S)-1-methoxy-1-oxopropan-2-yl] 1-[(1R)-1-phenylethyl]pyrrole-2-carboxylate;[(2R)-1-methoxy-1-oxopropan-2-yl] 1-[(1R)-1-phenylethyl]pyrrole-2-carboxylate?

[1-(1-methoxyethenyl)cyclopropyl] 1-[(1R)-1-phenylethyl]pyrrole-2-carboxylate;[(2S)-1-methoxy-3-methyl-1-oxobutan-2-yl] 1-[(1R)-1-phenylethyl]pyrrole-2-carboxylate;[(2R)-1-methoxy-3-methyl-1-oxobutan-2-yl] 1-[(1R)-1-phenylethyl]pyrrole-2-carboxylate;(1-methoxy-2-methyl-1-oxopropan-2-yl) 1-[(1R)-1-phenylethyl]pyrrole-2-carboxylate;[(2S)-1-methoxy-1-oxopropan-2-yl] 1-[(1R)-1-phenylethyl]pyrrole-2-carboxylate;[(2R)-1-methoxy-1-oxopropan-2-yl] 1-[(1R)-1-phenylethyl]pyrrole-2-carboxylate has a molecular weight of 1888.23 g/mol, XLogP of 19.69, 33 rotatable bonds, 0 hydrogen bond donors, and 29 hydrogen bond acceptors.

Where does this data come from?

All data for [1-(1-methoxyethenyl)cyclopropyl] 1-[(1R)-1-phenylethyl]pyrrole-2-carboxylate;[(2S)-1-methoxy-3-methyl-1-oxobutan-2-yl] 1-[(1R)-1-phenylethyl]pyrrole-2-carboxylate;[(2R)-1-methoxy-3-methyl-1-oxobutan-2-yl] 1-[(1R)-1-phenylethyl]pyrrole-2-carboxylate;(1-methoxy-2-methyl-1-oxopropan-2-yl) 1-[(1R)-1-phenylethyl]pyrrole-2-carboxylate;[(2S)-1-methoxy-1-oxopropan-2-yl] 1-[(1R)-1-phenylethyl]pyrrole-2-carboxylate;[(2R)-1-methoxy-1-oxopropan-2-yl] 1-[(1R)-1-phenylethyl]pyrrole-2-carboxylate is sourced from PubChem (CID 159338312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).