N-ethyl-1-[9-methyl-6-(oxan-4-yl)-5,6,7,8-tetrahydrocarbazole-3-carbonyl]pyrrolidine-3-carboxamide;methyl 1-[9-methyl-6-(oxan-4-yl)-5,6,7,8-tetrahydrocarbazole-3-carbonyl]pyrrolidine-3-carboxylate

C51H67N5O7 — CID 157111879

About N-ethyl-1-[9-methyl-6-(oxan-4-yl)-5,6,7,8-tetrahydrocarbazole-3-carbonyl]pyrrolidine-3-carboxamide;methyl 1-[9-methyl-6-(oxan-4-yl)-5,6,7,8-tetrahydrocarbazole-3-carbonyl]pyrrolidine-3-carboxylate

N-ethyl-1-[9-methyl-6-(oxan-4-yl)-5,6,7,8-tetrahydrocarbazole-3-carbonyl]pyrrolidine-3-carboxamide;methyl 1-[9-methyl-6-(oxan-4-yl)-5,6,7,8-tetrahydrocarbazole-3-carbonyl]pyrrolidine-3-carboxylate (PubChem CID 157111879) has the molecular formula C51H67N5O7 and a molecular weight of 862.12 g/mol. Its IUPAC name is N-ethyl-1-[9-methyl-6-(oxan-4-yl)-5,6,7,8-tetrahydrocarbazole-3-carbonyl]pyrrolidine-3-carboxamide;methyl 1-[9-methyl-6-(oxan-4-yl)-5,6,7,8-tetrahydrocarbazole-3-carbonyl]pyrrolidine-3-carboxylate.

Molecular Properties

• Compound Name: N-ethyl-1-[9-methyl-6-(oxan-4-yl)-5,6,7,8-tetrahydrocarbazole-3-carbonyl]pyrrolidine-3-carboxamide;methyl 1-[9-methyl-6-(oxan-4-yl)-5,6,7,8-tetrahydrocarbazole-3-carbonyl]pyrrolidine-3-carboxylate
• PubChem CID: 157111879
• Molecular Formula: C51H67N5O7
• Molecular Weight: 862.12 g/mol
• Exact Mass: 861.50
• IUPAC Name: N-ethyl-1-[9-methyl-6-(oxan-4-yl)-5,6,7,8-tetrahydrocarbazole-3-carbonyl]pyrrolidine-3-carboxamide;methyl 1-[9-methyl-6-(oxan-4-yl)-5,6,7,8-tetrahydrocarbazole-3-carbonyl]pyrrolidine-3-carboxylate
• SMILES: CCNC(=O)C1CCN(C(=O)c2ccc3c(c2)c2c(n3C)CCC(C3CCOCC3)C2)C1.COC(=O)C1CCN(C(=O)c2ccc3c(c2)c2c(n3C)CCC(C3CCOCC3)C2)C1
• InChI: InChI=1S/C26H35N3O3.C25H32N2O4/c1-3-27-25(30)20-8-11-29(16-20)26(31)19-5-7-24-22(15-19)21-14-18(4-6-23(21)28(24)2)17-9-12-32-13-10-17;1-26-22-5-3-17(16-8-11-31-12-9-16)13-20(22)21-14-18(4-6-23(21)26)24(28)27-10-7-19(15-27)25(29)30-2/h5,7,15,17-18,20H,3-4,6,8-14,16H2,1-2H3,(H,27,30);4,6,14,16-17,19H,3,5,7-13,15H2,1-2H3
• InChIKey: AGYIHIAJLQLCFA-UHFFFAOYSA-N
• XLogP: 6.65
• TPSA: 124.34 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 7
• Heavy Atoms: 63
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	862.12
LogP ≤ 5	6.65
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-[9-methyl-6-(oxan-4-yl)-5,6,7,8-tetrahydrocarbazole-3-carbonyl]pyrrolidine-3-carboxamide;methyl 1-[9-methyl-6-(oxan-4-yl)-5,6,7,8-tetrahydrocarbazole-3-carbonyl]pyrrolidine-3-carboxylate?

The IUPAC name of N-ethyl-1-[9-methyl-6-(oxan-4-yl)-5,6,7,8-tetrahydrocarbazole-3-carbonyl]pyrrolidine-3-carboxamide;methyl 1-[9-methyl-6-(oxan-4-yl)-5,6,7,8-tetrahydrocarbazole-3-carbonyl]pyrrolidine-3-carboxylate (CID 157111879) is N-ethyl-1-[9-methyl-6-(oxan-4-yl)-5,6,7,8-tetrahydrocarbazole-3-carbonyl]pyrrolidine-3-carboxamide;methyl 1-[9-methyl-6-(oxan-4-yl)-5,6,7,8-tetrahydrocarbazole-3-carbonyl]pyrrolidine-3-carboxylate.

What is the SMILES notation for N-ethyl-1-[9-methyl-6-(oxan-4-yl)-5,6,7,8-tetrahydrocarbazole-3-carbonyl]pyrrolidine-3-carboxamide;methyl 1-[9-methyl-6-(oxan-4-yl)-5,6,7,8-tetrahydrocarbazole-3-carbonyl]pyrrolidine-3-carboxylate?

The canonical SMILES for N-ethyl-1-[9-methyl-6-(oxan-4-yl)-5,6,7,8-tetrahydrocarbazole-3-carbonyl]pyrrolidine-3-carboxamide;methyl 1-[9-methyl-6-(oxan-4-yl)-5,6,7,8-tetrahydrocarbazole-3-carbonyl]pyrrolidine-3-carboxylate is CCNC(=O)C1CCN(C(=O)c2ccc3c(c2)c2c(n3C)CCC(C3CCOCC3)C2)C1.COC(=O)C1CCN(C(=O)c2ccc3c(c2)c2c(n3C)CCC(C3CCOCC3)C2)C1.

What is the InChIKey of N-ethyl-1-[9-methyl-6-(oxan-4-yl)-5,6,7,8-tetrahydrocarbazole-3-carbonyl]pyrrolidine-3-carboxamide;methyl 1-[9-methyl-6-(oxan-4-yl)-5,6,7,8-tetrahydrocarbazole-3-carbonyl]pyrrolidine-3-carboxylate?

The InChIKey is AGYIHIAJLQLCFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H35N3O3.C25H32N2O4/c1-3-27-25(30)20-8-11-29(16-20)26(31)19-5-7-24-22(15-19)21-14-18(4-6-23(21)28(24)2)17-9-12-32-13-10-17;1-26-22-5-3-17(16-8-11-31-12-9-16)13-20(22)21-14-18(4-6-23(21)26)24(28)27-10-7-19(15-27)25(29)30-2/h5,7,15,17-18,20H,3-4,6,8-14,16H2,1-2H3,(H,27,30);4,6,14,16-17,19H,3,5,7-13,15H2,1-2H3.

What are the key properties of N-ethyl-1-[9-methyl-6-(oxan-4-yl)-5,6,7,8-tetrahydrocarbazole-3-carbonyl]pyrrolidine-3-carboxamide;methyl 1-[9-methyl-6-(oxan-4-yl)-5,6,7,8-tetrahydrocarbazole-3-carbonyl]pyrrolidine-3-carboxylate?

N-ethyl-1-[9-methyl-6-(oxan-4-yl)-5,6,7,8-tetrahydrocarbazole-3-carbonyl]pyrrolidine-3-carboxamide;methyl 1-[9-methyl-6-(oxan-4-yl)-5,6,7,8-tetrahydrocarbazole-3-carbonyl]pyrrolidine-3-carboxylate has a molecular weight of 862.12 g/mol, XLogP of 6.65, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-ethyl-1-[9-methyl-6-(oxan-4-yl)-5,6,7,8-tetrahydrocarbazole-3-carbonyl]pyrrolidine-3-carboxamide;methyl 1-[9-methyl-6-(oxan-4-yl)-5,6,7,8-tetrahydrocarbazole-3-carbonyl]pyrrolidine-3-carboxylate is sourced from PubChem (CID 157111879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).