1-benzylpyrrolidin-2-one;1-benzyl-3-[3-[1-(trifluoromethyl)cyclopropyl]propyl]pyrrolidin-2-one;1-(3-bromopropyl)-1-(trifluoromethyl)cyclopropane;(14S)-8-chloro-12,12-dimethyl-2,2-dioxo-2λ6-thia-3,9,11,18,23-pentazatetracyclo[17.3.1.111,14.05,10]tetracosa-1(22),5(10),6,8,19(23),20-hexaen-4-one;bis((14S)-12,12-dimethyl-8-[3-[3-(1-methylcyclopropyl)propyl]-2-oxopyrrolidin-1-yl]-2,2-dioxo-2λ6-thia-3,9,11,18,23-pentazatetracyclo[17.3.1.111,14.05,10]tetracosa-1(22),5(10),6,8,19(23),20-hexaen-4-one);3-[3-(1-methylcyclopropyl)propyl]pyrrolidin-2-one;3-[1-(trifluoromethyl)cyclopropyl]propan-1-ol

C136H183BrClF9N20O15S3 — CID 158516764

About 1-benzylpyrrolidin-2-one;1-benzyl-3-[3-[1-(trifluoromethyl)cyclopropyl]propyl]pyrrolidin-2-one;1-(3-bromopropyl)-1-(trifluoromethyl)cyclopropane;(14S)-8-chloro-12,12-dimethyl-2,2-dioxo-2λ6-thia-3,9,11,18,23-pentazatetracyclo[17.3.1.111,14.05,10]tetracosa-1(22),5(10),6,8,19(23),20-hexaen-4-one;bis((14S)-12,12-dimethyl-8-[3-[3-(1-methylcyclopropyl)propyl]-2-oxopyrrolidin-1-yl]-2,2-dioxo-2λ6-thia-3,9,11,18,23-pentazatetracyclo[17.3.1.111,14.05,10]tetracosa-1(22),5(10),6,8,19(23),20-hexaen-4-one);3-[3-(1-methylcyclopropyl)propyl]pyrrolidin-2-one;3-[1-(trifluoromethyl)cyclopropyl]propan-1-ol

1-benzylpyrrolidin-2-one;1-benzyl-3-[3-[1-(trifluoromethyl)cyclopropyl]propyl]pyrrolidin-2-one;1-(3-bromopropyl)-1-(trifluoromethyl)cyclopropane;(14S)-8-chloro-12,12-dimethyl-2,2-dioxo-2λ6-thia-3,9,11,18,23-pentazatetracyclo[17.3.1.111,14.05,10]tetracosa-1(22),5(10),6,8,19(23),20-hexaen-4-one;bis((14S)-12,12-dimethyl-8-[3-[3-(1-methylcyclopropyl)propyl]-2-oxopyrrolidin-1-yl]-2,2-dioxo-2λ6-thia-3,9,11,18,23-pentazatetracyclo[17.3.1.111,14.05,10]tetracosa-1(22),5(10),6,8,19(23),20-hexaen-4-one);3-[3-(1-methylcyclopropyl)propyl]pyrrolidin-2-one;3-[1-(trifluoromethyl)cyclopropyl]propan-1-ol (PubChem CID 158516764) has the molecular formula C136H183BrClF9N20O15S3 and a molecular weight of 2720.62 g/mol. Its IUPAC name is 1-benzylpyrrolidin-2-one;1-benzyl-3-[3-[1-(trifluoromethyl)cyclopropyl]propyl]pyrrolidin-2-one;1-(3-bromopropyl)-1-(trifluoromethyl)cyclopropane;(14S)-8-chloro-12,12-dimethyl-2,2-dioxo-2λ6-thia-3,9,11,18,23-pentazatetracyclo[17.3.1.111,14.05,10]tetracosa-1(22),5(10),6,8,19(23),20-hexaen-4-one;bis((14S)-12,12-dimethyl-8-[3-[3-(1-methylcyclopropyl)propyl]-2-oxopyrrolidin-1-yl]-2,2-dioxo-2λ6-thia-3,9,11,18,23-pentazatetracyclo[17.3.1.111,14.05,10]tetracosa-1(22),5(10),6,8,19(23),20-hexaen-4-one);3-[3-(1-methylcyclopropyl)propyl]pyrrolidin-2-one;3-[1-(trifluoromethyl)cyclopropyl]propan-1-ol.

Molecular Properties

• Compound Name: 1-benzylpyrrolidin-2-one;1-benzyl-3-[3-[1-(trifluoromethyl)cyclopropyl]propyl]pyrrolidin-2-one;1-(3-bromopropyl)-1-(trifluoromethyl)cyclopropane;(14S)-8-chloro-12,12-dimethyl-2,2-dioxo-2λ6-thia-3,9,11,18,23-pentazatetracyclo[17.3.1.111,14.05,10]tetracosa-1(22),5(10),6,8,19(23),20-hexaen-4-one;bis((14S)-12,12-dimethyl-8-[3-[3-(1-methylcyclopropyl)propyl]-2-oxopyrrolidin-1-yl]-2,2-dioxo-2λ6-thia-3,9,11,18,23-pentazatetracyclo[17.3.1.111,14.05,10]tetracosa-1(22),5(10),6,8,19(23),20-hexaen-4-one);3-[3-(1-methylcyclopropyl)propyl]pyrrolidin-2-one;3-[1-(trifluoromethyl)cyclopropyl]propan-1-ol
• PubChem CID: 158516764
• Molecular Formula: C136H183BrClF9N20O15S3
• Molecular Weight: 2720.62 g/mol
• Exact Mass: 2717.21
• IUPAC Name: 1-benzylpyrrolidin-2-one;1-benzyl-3-[3-[1-(trifluoromethyl)cyclopropyl]propyl]pyrrolidin-2-one;1-(3-bromopropyl)-1-(trifluoromethyl)cyclopropane;(14S)-8-chloro-12,12-dimethyl-2,2-dioxo-2λ6-thia-3,9,11,18,23-pentazatetracyclo[17.3.1.111,14.05,10]tetracosa-1(22),5(10),6,8,19(23),20-hexaen-4-one;bis((14S)-12,12-dimethyl-8-[3-[3-(1-methylcyclopropyl)propyl]-2-oxopyrrolidin-1-yl]-2,2-dioxo-2λ6-thia-3,9,11,18,23-pentazatetracyclo[17.3.1.111,14.05,10]tetracosa-1(22),5(10),6,8,19(23),20-hexaen-4-one);3-[3-(1-methylcyclopropyl)propyl]pyrrolidin-2-one;3-[1-(trifluoromethyl)cyclopropyl]propan-1-ol
• SMILES: CC1(C)C[C@@H]2CCCNc3cccc(n3)S(=O)(=O)NC(=O)c3ccc(Cl)nc3N1C2.CC1(CCCC2CCN(c3ccc4c(n3)N3C[C@@H](CCCNc5cccc(n5)S(=O)(=O)NC4=O)CC3(C)C)C2=O)CC1.CC1(CCCC2CCN(c3ccc4c(n3)N3C[C@@H](CCCNc5cccc(n5)S(=O)(=O)NC4=O)CC3(C)C)C2=O)CC1.CC1(CCCC2CCNC2=O)CC1.FC(F)(F)C1(CCCBr)CC1.O=C1C(CCCC2(C(F)(F)F)CC2)CCN1Cc1ccccc1.O=C1CCCN1Cc1ccccc1.OCCCC1(C(F)(F)F)CC1
• InChI: InChI=1S/2C31H42N6O4S.C20H24ClN5O3S.C18H22F3NO.C11H19NO.C11H13NO.C7H10BrF3.C7H11F3O/c2*1-30(2)19-21-7-6-17-32-24-9-4-10-26(33-24)42(40,41)35-28(38)23-11-12-25(34-27(23)37(30)20-21)36-18-13-22(29(36)39)8-5-14-31(3)15-16-31;1-20(2)11-13-5-4-10-22-16-6-3-7-17(24-16)30(28,29)25-19(27)14-8-9-15(21)23-18(14)26(20)12-13;19-18(20,21)17(10-11-17)9-4-7-15-8-12-22(16(15)23)13-14-5-2-1-3-6-14;1-11(6-7-11)5-2-3-9-4-8-12-10(9)13;13-11-7-4-8-12(11)9-10-5-2-1-3-6-10;8-5-1-2-6(3-4-6)7(9,10)11;8-7(9,10)6(3-4-6)2-1-5-11/h2*4,9-12,21-22H,5-8,13-20H2,1-3H3,(H,32,33)(H,35,38);3,6-9,13H,4-5,10-12H2,1-2H3,(H,22,24)(H,25,27);1-3,5-6,15H,4,7-13H2;9H,2-8H2,1H3,(H,12,13);1-3,5-6H,4,7-9H2;1-5H2;11H,1-5H2/t2*21-,22?;13-;;;;;/m000...../s1
• InChIKey: HLSJQNWOSVZWOA-XPJOKYTQSA-N
• XLogP: 26.57
• TPSA: 443.44 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 27
• Rotatable Bonds: 28
• Heavy Atoms: 185
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2720.62
LogP ≤ 5	26.57
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	27

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-benzylpyrrolidin-2-one;1-benzyl-3-[3-[1-(trifluoromethyl)cyclopropyl]propyl]pyrrolidin-2-one;1-(3-bromopropyl)-1-(trifluoromethyl)cyclopropane;(14S)-8-chloro-12,12-dimethyl-2,2-dioxo-2λ6-thia-3,9,11,18,23-pentazatetracyclo[17.3.1.111,14.05,10]tetracosa-1(22),5(10),6,8,19(23),20-hexaen-4-one;bis((14S)-12,12-dimethyl-8-[3-[3-(1-methylcyclopropyl)propyl]-2-oxopyrrolidin-1-yl]-2,2-dioxo-2λ6-thia-3,9,11,18,23-pentazatetracyclo[17.3.1.111,14.05,10]tetracosa-1(22),5(10),6,8,19(23),20-hexaen-4-one);3-[3-(1-methylcyclopropyl)propyl]pyrrolidin-2-one;3-[1-(trifluoromethyl)cyclopropyl]propan-1-ol?

The IUPAC name of 1-benzylpyrrolidin-2-one;1-benzyl-3-[3-[1-(trifluoromethyl)cyclopropyl]propyl]pyrrolidin-2-one;1-(3-bromopropyl)-1-(trifluoromethyl)cyclopropane;(14S)-8-chloro-12,12-dimethyl-2,2-dioxo-2λ6-thia-3,9,11,18,23-pentazatetracyclo[17.3.1.111,14.05,10]tetracosa-1(22),5(10),6,8,19(23),20-hexaen-4-one;bis((14S)-12,12-dimethyl-8-[3-[3-(1-methylcyclopropyl)propyl]-2-oxopyrrolidin-1-yl]-2,2-dioxo-2λ6-thia-3,9,11,18,23-pentazatetracyclo[17.3.1.111,14.05,10]tetracosa-1(22),5(10),6,8,19(23),20-hexaen-4-one);3-[3-(1-methylcyclopropyl)propyl]pyrrolidin-2-one;3-[1-(trifluoromethyl)cyclopropyl]propan-1-ol (CID 158516764) is 1-benzylpyrrolidin-2-one;1-benzyl-3-[3-[1-(trifluoromethyl)cyclopropyl]propyl]pyrrolidin-2-one;1-(3-bromopropyl)-1-(trifluoromethyl)cyclopropane;(14S)-8-chloro-12,12-dimethyl-2,2-dioxo-2λ6-thia-3,9,11,18,23-pentazatetracyclo[17.3.1.111,14.05,10]tetracosa-1(22),5(10),6,8,19(23),20-hexaen-4-one;bis((14S)-12,12-dimethyl-8-[3-[3-(1-methylcyclopropyl)propyl]-2-oxopyrrolidin-1-yl]-2,2-dioxo-2λ6-thia-3,9,11,18,23-pentazatetracyclo[17.3.1.111,14.05,10]tetracosa-1(22),5(10),6,8,19(23),20-hexaen-4-one);3-[3-(1-methylcyclopropyl)propyl]pyrrolidin-2-one;3-[1-(trifluoromethyl)cyclopropyl]propan-1-ol.

What is the SMILES notation for 1-benzylpyrrolidin-2-one;1-benzyl-3-[3-[1-(trifluoromethyl)cyclopropyl]propyl]pyrrolidin-2-one;1-(3-bromopropyl)-1-(trifluoromethyl)cyclopropane;(14S)-8-chloro-12,12-dimethyl-2,2-dioxo-2λ6-thia-3,9,11,18,23-pentazatetracyclo[17.3.1.111,14.05,10]tetracosa-1(22),5(10),6,8,19(23),20-hexaen-4-one;bis((14S)-12,12-dimethyl-8-[3-[3-(1-methylcyclopropyl)propyl]-2-oxopyrrolidin-1-yl]-2,2-dioxo-2λ6-thia-3,9,11,18,23-pentazatetracyclo[17.3.1.111,14.05,10]tetracosa-1(22),5(10),6,8,19(23),20-hexaen-4-one);3-[3-(1-methylcyclopropyl)propyl]pyrrolidin-2-one;3-[1-(trifluoromethyl)cyclopropyl]propan-1-ol?

The canonical SMILES for 1-benzylpyrrolidin-2-one;1-benzyl-3-[3-[1-(trifluoromethyl)cyclopropyl]propyl]pyrrolidin-2-one;1-(3-bromopropyl)-1-(trifluoromethyl)cyclopropane;(14S)-8-chloro-12,12-dimethyl-2,2-dioxo-2λ6-thia-3,9,11,18,23-pentazatetracyclo[17.3.1.111,14.05,10]tetracosa-1(22),5(10),6,8,19(23),20-hexaen-4-one;bis((14S)-12,12-dimethyl-8-[3-[3-(1-methylcyclopropyl)propyl]-2-oxopyrrolidin-1-yl]-2,2-dioxo-2λ6-thia-3,9,11,18,23-pentazatetracyclo[17.3.1.111,14.05,10]tetracosa-1(22),5(10),6,8,19(23),20-hexaen-4-one);3-[3-(1-methylcyclopropyl)propyl]pyrrolidin-2-one;3-[1-(trifluoromethyl)cyclopropyl]propan-1-ol is CC1(C)C[C@@H]2CCCNc3cccc(n3)S(=O)(=O)NC(=O)c3ccc(Cl)nc3N1C2.CC1(CCCC2CCN(c3ccc4c(n3)N3C[C@@H](CCCNc5cccc(n5)S(=O)(=O)NC4=O)CC3(C)C)C2=O)CC1.CC1(CCCC2CCN(c3ccc4c(n3)N3C[C@@H](CCCNc5cccc(n5)S(=O)(=O)NC4=O)CC3(C)C)C2=O)CC1.CC1(CCCC2CCNC2=O)CC1.FC(F)(F)C1(CCCBr)CC1.O=C1C(CCCC2(C(F)(F)F)CC2)CCN1Cc1ccccc1.O=C1CCCN1Cc1ccccc1.OCCCC1(C(F)(F)F)CC1.

What is the InChIKey of 1-benzylpyrrolidin-2-one;1-benzyl-3-[3-[1-(trifluoromethyl)cyclopropyl]propyl]pyrrolidin-2-one;1-(3-bromopropyl)-1-(trifluoromethyl)cyclopropane;(14S)-8-chloro-12,12-dimethyl-2,2-dioxo-2λ6-thia-3,9,11,18,23-pentazatetracyclo[17.3.1.111,14.05,10]tetracosa-1(22),5(10),6,8,19(23),20-hexaen-4-one;bis((14S)-12,12-dimethyl-8-[3-[3-(1-methylcyclopropyl)propyl]-2-oxopyrrolidin-1-yl]-2,2-dioxo-2λ6-thia-3,9,11,18,23-pentazatetracyclo[17.3.1.111,14.05,10]tetracosa-1(22),5(10),6,8,19(23),20-hexaen-4-one);3-[3-(1-methylcyclopropyl)propyl]pyrrolidin-2-one;3-[1-(trifluoromethyl)cyclopropyl]propan-1-ol?

The InChIKey is HLSJQNWOSVZWOA-XPJOKYTQSA-N. The full InChI is InChI=1S/2C31H42N6O4S.C20H24ClN5O3S.C18H22F3NO.C11H19NO.C11H13NO.C7H10BrF3.C7H11F3O/c2*1-30(2)19-21-7-6-17-32-24-9-4-10-26(33-24)42(40,41)35-28(38)23-11-12-25(34-27(23)37(30)20-21)36-18-13-22(29(36)39)8-5-14-31(3)15-16-31;1-20(2)11-13-5-4-10-22-16-6-3-7-17(24-16)30(28,29)25-19(27)14-8-9-15(21)23-18(14)26(20)12-13;19-18(20,21)17(10-11-17)9-4-7-15-8-12-22(16(15)23)13-14-5-2-1-3-6-14;1-11(6-7-11)5-2-3-9-4-8-12-10(9)13;13-11-7-4-8-12(11)9-10-5-2-1-3-6-10;8-5-1-2-6(3-4-6)7(9,10)11;8-7(9,10)6(3-4-6)2-1-5-11/h2*4,9-12,21-22H,5-8,13-20H2,1-3H3,(H,32,33)(H,35,38);3,6-9,13H,4-5,10-12H2,1-2H3,(H,22,24)(H,25,27);1-3,5-6,15H,4,7-13H2;9H,2-8H2,1H3,(H,12,13);1-3,5-6H,4,7-9H2;1-5H2;11H,1-5H2/t2*21-,22?;13-;;;;;/m000...../s1.

What are the key properties of 1-benzylpyrrolidin-2-one;1-benzyl-3-[3-[1-(trifluoromethyl)cyclopropyl]propyl]pyrrolidin-2-one;1-(3-bromopropyl)-1-(trifluoromethyl)cyclopropane;(14S)-8-chloro-12,12-dimethyl-2,2-dioxo-2λ6-thia-3,9,11,18,23-pentazatetracyclo[17.3.1.111,14.05,10]tetracosa-1(22),5(10),6,8,19(23),20-hexaen-4-one;bis((14S)-12,12-dimethyl-8-[3-[3-(1-methylcyclopropyl)propyl]-2-oxopyrrolidin-1-yl]-2,2-dioxo-2λ6-thia-3,9,11,18,23-pentazatetracyclo[17.3.1.111,14.05,10]tetracosa-1(22),5(10),6,8,19(23),20-hexaen-4-one);3-[3-(1-methylcyclopropyl)propyl]pyrrolidin-2-one;3-[1-(trifluoromethyl)cyclopropyl]propan-1-ol?

1-benzylpyrrolidin-2-one;1-benzyl-3-[3-[1-(trifluoromethyl)cyclopropyl]propyl]pyrrolidin-2-one;1-(3-bromopropyl)-1-(trifluoromethyl)cyclopropane;(14S)-8-chloro-12,12-dimethyl-2,2-dioxo-2λ6-thia-3,9,11,18,23-pentazatetracyclo[17.3.1.111,14.05,10]tetracosa-1(22),5(10),6,8,19(23),20-hexaen-4-one;bis((14S)-12,12-dimethyl-8-[3-[3-(1-methylcyclopropyl)propyl]-2-oxopyrrolidin-1-yl]-2,2-dioxo-2λ6-thia-3,9,11,18,23-pentazatetracyclo[17.3.1.111,14.05,10]tetracosa-1(22),5(10),6,8,19(23),20-hexaen-4-one);3-[3-(1-methylcyclopropyl)propyl]pyrrolidin-2-one;3-[1-(trifluoromethyl)cyclopropyl]propan-1-ol has a molecular weight of 2720.62 g/mol, XLogP of 26.57, 28 rotatable bonds, 8 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for 1-benzylpyrrolidin-2-one;1-benzyl-3-[3-[1-(trifluoromethyl)cyclopropyl]propyl]pyrrolidin-2-one;1-(3-bromopropyl)-1-(trifluoromethyl)cyclopropane;(14S)-8-chloro-12,12-dimethyl-2,2-dioxo-2λ6-thia-3,9,11,18,23-pentazatetracyclo[17.3.1.111,14.05,10]tetracosa-1(22),5(10),6,8,19(23),20-hexaen-4-one;bis((14S)-12,12-dimethyl-8-[3-[3-(1-methylcyclopropyl)propyl]-2-oxopyrrolidin-1-yl]-2,2-dioxo-2λ6-thia-3,9,11,18,23-pentazatetracyclo[17.3.1.111,14.05,10]tetracosa-1(22),5(10),6,8,19(23),20-hexaen-4-one);3-[3-(1-methylcyclopropyl)propyl]pyrrolidin-2-one;3-[1-(trifluoromethyl)cyclopropyl]propan-1-ol is sourced from PubChem (CID 158516764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).