(6-methoxycarbonylnaphthalen-2-yl) 2,2,5,5-tetramethylpyrrolidine-3-carboxylate;(6-methylnaphthalen-2-yl)methyl 1,2,2,5,5-pentamethylpyrrolidine-3-carboxylate;(6-methylnaphthalen-2-yl)methyl 2,2,5,5-tetramethylpyrrolidine-3-carboxylate;(5-methylnaphthalen-1-yl) 1,2,2,5,5-pentamethylpyrrolidine-3-carboxylate;(6-methylnaphthalen-2-yl) 1,2,2,5,5-pentamethylpyrrolidine-3-carboxylate;(5-methylnaphthalen-1-yl) 2,2,5,5-tetramethylpyrrolidine-3-carboxylate;(6-methylnaphthalen-2-yl) 2,2,5,5-tetramethylpyrrolidine-3-carboxylate

C146H185N7O16 — CID 159078345

IUPAC(6-methoxycarbonylnaphthalen-2-yl) 2,2,5,5-tetramethylpyrrolidine-3-carboxylate;(6-methylnaphthalen-2-yl)methyl 1,2,2,5,5-pentamethylpyrrolidine-3-carboxylate;(6-methylnaphthalen-2-yl)methyl 2,2,5,5-tetramethylpyrrolidine-3-carboxylate;(5-methylnaphthalen-1-yl) 1,2,2,5,5-pentamethylpyrrolidine-3-carboxylate;(6-methylnaphthalen-2-yl) 1,2,2,5,5-pentamethylpyrrolidine-3-carboxylate;(5-methylnaphthalen-1-yl) 2,2,5,5-tetramethylpyrrolidine-3-carboxylate;(6-methylnaphthalen-2-yl) 2,2,5,5-tetramethylpyrrolidine-3-carboxylate
SMILESCOC(=O)c1ccc2cc(OC(=O)C3CC(C)(C)NC3(C)C)ccc2c1.Cc1ccc2cc(COC(=O)C3CC(C)(C)N(C)C3(C)C)ccc2c1.Cc1ccc2cc(COC(=O)C3CC(C)(C)NC3(C)C)ccc2c1.Cc1ccc2cc(OC(=O)C3CC(C)(C)N(C)C3(C)C)ccc2c1.Cc1ccc2cc(OC(=O)C3CC(C)(C)NC3(C)C)ccc2c1.Cc1cccc2c(OC(=O)C3CC(C)(C)N(C)C3(C)C)cccc12.Cc1cccc2c(OC(=O)C3CC(C)(C)NC3(C)C)cccc12
InChIInChI=1S/C22H29NO2.C21H25NO4.3C21H27NO2.2C20H25NO2/c1-15-7-9-18-12-16(8-10-17(18)11-15)14-25-20(24)19-13-21(2,3)23(6)22(19,4)5;1-20(2)12-17(21(3,4)22-20)19(24)26-16-9-8-13-10-15(18(23)25-5)7-6-14(13)11-16;1-14-9-7-11-16-15(14)10-8-12-18(16)24-19(23)17-13-20(2,3)22(6)21(17,4)5;1-14-7-8-16-12-17(10-9-15(16)11-14)24-19(23)18-13-20(2,3)22(6)21(18,4)5;1-14-6-8-17-11-15(7-9-16(17)10-14)13-24-19(23)18-12-20(2,3)22-21(18,4)5;1-13-8-6-10-15-14(13)9-7-11-17(15)23-18(22)16-12-19(2,3)21-20(16,4)5;1-13-6-7-15-11-16(9-8-14(15)10-13)23-18(22)17-12-19(2,3)21-20(17,4)5/h7-12,19H,13-14H2,1-6H3;6-11,17,22H,12H2,1-5H3;7-12,17H,13H2,1-6H3;7-12,18H,13H2,1-6H3;6-11,18,22H,12-13H2,1-5H3;6-11,16,21H,12H2,1-5H3;6-11,17,21H,12H2,1-5H3
InChIKeyKANMKDBPOLXLNS-UHFFFAOYSA-N
MW2294.12 g/mol
LogP30.32
Rot. Bonds17

About (6-methoxycarbonylnaphthalen-2-yl) 2,2,5,5-tetramethylpyrrolidine-3-carboxylate;(6-methylnaphthalen-2-yl)methyl 1,2,2,5,5-pentamethylpyrrolidine-3-carboxylate;(6-methylnaphthalen-2-yl)methyl 2,2,5,5-tetramethylpyrrolidine-3-carboxylate;(5-methylnaphthalen-1-yl) 1,2,2,5,5-pentamethylpyrrolidine-3-carboxylate;(6-methylnaphthalen-2-yl) 1,2,2,5,5-pentamethylpyrrolidine-3-carboxylate;(5-methylnaphthalen-1-yl) 2,2,5,5-tetramethylpyrrolidine-3-carboxylate;(6-methylnaphthalen-2-yl) 2,2,5,5-tetramethylpyrrolidine-3-carboxylate

(6-methoxycarbonylnaphthalen-2-yl) 2,2,5,5-tetramethylpyrrolidine-3-carboxylate;(6-methylnaphthalen-2-yl)methyl 1,2,2,5,5-pentamethylpyrrolidine-3-carboxylate;(6-methylnaphthalen-2-yl)methyl 2,2,5,5-tetramethylpyrrolidine-3-carboxylate;(5-methylnaphthalen-1-yl) 1,2,2,5,5-pentamethylpyrrolidine-3-carboxylate;(6-methylnaphthalen-2-yl) 1,2,2,5,5-pentamethylpyrrolidine-3-carboxylate;(5-methylnaphthalen-1-yl) 2,2,5,5-tetramethylpyrrolidine-3-carboxylate;(6-methylnaphthalen-2-yl) 2,2,5,5-tetramethylpyrrolidine-3-carboxylate (PubChem CID 159078345) has the molecular formula C146H185N7O16 and a molecular weight of 2294.12 g/mol. Its IUPAC name is (6-methoxycarbonylnaphthalen-2-yl) 2,2,5,5-tetramethylpyrrolidine-3-carboxylate;(6-methylnaphthalen-2-yl)methyl 1,2,2,5,5-pentamethylpyrrolidine-3-carboxylate;(6-methylnaphthalen-2-yl)methyl 2,2,5,5-tetramethylpyrrolidine-3-carboxylate;(5-methylnaphthalen-1-yl) 1,2,2,5,5-pentamethylpyrrolidine-3-carboxylate;(6-methylnaphthalen-2-yl) 1,2,2,5,5-pentamethylpyrrolidine-3-carboxylate;(5-methylnaphthalen-1-yl) 2,2,5,5-tetramethylpyrrolidine-3-carboxylate;(6-methylnaphthalen-2-yl) 2,2,5,5-tetramethylpyrrolidine-3-carboxylate.

Molecular Properties

Compound Name(6-methoxycarbonylnaphthalen-2-yl) 2,2,5,5-tetramethylpyrrolidine-3-carboxylate;(6-methylnaphthalen-2-yl)methyl 1,2,2,5,5-pentamethylpyrrolidine-3-carboxylate;(6-methylnaphthalen-2-yl)methyl 2,2,5,5-tetramethylpyrrolidine-3-carboxylate;(5-methylnaphthalen-1-yl) 1,2,2,5,5-pentamethylpyrrolidine-3-carboxylate;(6-methylnaphthalen-2-yl) 1,2,2,5,5-pentamethylpyrrolidine-3-carboxylate;(5-methylnaphthalen-1-yl) 2,2,5,5-tetramethylpyrrolidine-3-carboxylate;(6-methylnaphthalen-2-yl) 2,2,5,5-tetramethylpyrrolidine-3-carboxylate
PubChem CID159078345
Molecular FormulaC146H185N7O16
Molecular Weight2294.12 g/mol
Exact Mass2292.39
IUPAC Name(6-methoxycarbonylnaphthalen-2-yl) 2,2,5,5-tetramethylpyrrolidine-3-carboxylate;(6-methylnaphthalen-2-yl)methyl 1,2,2,5,5-pentamethylpyrrolidine-3-carboxylate;(6-methylnaphthalen-2-yl)methyl 2,2,5,5-tetramethylpyrrolidine-3-carboxylate;(5-methylnaphthalen-1-yl) 1,2,2,5,5-pentamethylpyrrolidine-3-carboxylate;(6-methylnaphthalen-2-yl) 1,2,2,5,5-pentamethylpyrrolidine-3-carboxylate;(5-methylnaphthalen-1-yl) 2,2,5,5-tetramethylpyrrolidine-3-carboxylate;(6-methylnaphthalen-2-yl) 2,2,5,5-tetramethylpyrrolidine-3-carboxylate
SMILESCOC(=O)c1ccc2cc(OC(=O)C3CC(C)(C)NC3(C)C)ccc2c1.Cc1ccc2cc(COC(=O)C3CC(C)(C)N(C)C3(C)C)ccc2c1.Cc1ccc2cc(COC(=O)C3CC(C)(C)NC3(C)C)ccc2c1.Cc1ccc2cc(OC(=O)C3CC(C)(C)N(C)C3(C)C)ccc2c1.Cc1ccc2cc(OC(=O)C3CC(C)(C)NC3(C)C)ccc2c1.Cc1cccc2c(OC(=O)C3CC(C)(C)N(C)C3(C)C)cccc12.Cc1cccc2c(OC(=O)C3CC(C)(C)NC3(C)C)cccc12
InChIInChI=1S/C22H29NO2.C21H25NO4.3C21H27NO2.2C20H25NO2/c1-15-7-9-18-12-16(8-10-17(18)11-15)14-25-20(24)19-13-21(2,3)23(6)22(19,4)5;1-20(2)12-17(21(3,4)22-20)19(24)26-16-9-8-13-10-15(18(23)25-5)7-6-14(13)11-16;1-14-9-7-11-16-15(14)10-8-12-18(16)24-19(23)17-13-20(2,3)22(6)21(17,4)5;1-14-7-8-16-12-17(10-9-15(16)11-14)24-19(23)18-13-20(2,3)22(6)21(18,4)5;1-14-6-8-17-11-15(7-9-16(17)10-14)13-24-19(23)18-12-20(2,3)22-21(18,4)5;1-13-8-6-10-15-14(13)9-7-11-17(15)23-18(22)16-12-19(2,3)21-20(16,4)5;1-13-6-7-15-11-16(9-8-14(15)10-13)23-18(22)17-12-19(2,3)21-20(17,4)5/h7-12,19H,13-14H2,1-6H3;6-11,17,22H,12H2,1-5H3;7-12,17H,13H2,1-6H3;7-12,18H,13H2,1-6H3;6-11,18,22H,12-13H2,1-5H3;6-11,16,21H,12H2,1-5H3;6-11,17,21H,12H2,1-5H3
InChIKeyKANMKDBPOLXLNS-UHFFFAOYSA-N
XLogP30.32
TPSA268.24 Ų
H-Bond Donors4
H-Bond Acceptors23
Rotatable Bonds17
Heavy Atoms169
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002294.12
LogP ≤ 530.32
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1023

Computed Properties (RDKit)

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

Analyze (6-methoxycarbonylnaphthalen-2-yl) 2,2,5,5-tetramethylpyrrolidine-3-carboxylate;(6-methylnaphthalen-2-yl)methyl 1,2,2,5,5-pentamethylpyrrolidine-3-carboxylate;(6-methylnaphthalen-2-yl)methyl 2,2,5,5-tetramethylpyrrolidine-3-carboxylate;(5-methylnaphthalen-1-yl) 1,2,2,5,5-pentamethylpyrrolidine-3-carboxylate;(6-methylnaphthalen-2-yl) 1,2,2,5,5-pentamethylpyrrolidine-3-carboxylate;(5-methylnaphthalen-1-yl) 2,2,5,5-tetramethylpyrrolidine-3-carboxylate;(6-methylnaphthalen-2-yl) 2,2,5,5-tetramethylpyrrolidine-3-carboxylate with MolForge

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Frequently Asked Questions

What is the IUPAC name of (6-methoxycarbonylnaphthalen-2-yl) 2,2,5,5-tetramethylpyrrolidine-3-carboxylate;(6-methylnaphthalen-2-yl)methyl 1,2,2,5,5-pentamethylpyrrolidine-3-carboxylate;(6-methylnaphthalen-2-yl)methyl 2,2,5,5-tetramethylpyrrolidine-3-carboxylate;(5-methylnaphthalen-1-yl) 1,2,2,5,5-pentamethylpyrrolidine-3-carboxylate;(6-methylnaphthalen-2-yl) 1,2,2,5,5-pentamethylpyrrolidine-3-carboxylate;(5-methylnaphthalen-1-yl) 2,2,5,5-tetramethylpyrrolidine-3-carboxylate;(6-methylnaphthalen-2-yl) 2,2,5,5-tetramethylpyrrolidine-3-carboxylate?
The IUPAC name of (6-methoxycarbonylnaphthalen-2-yl) 2,2,5,5-tetramethylpyrrolidine-3-carboxylate;(6-methylnaphthalen-2-yl)methyl 1,2,2,5,5-pentamethylpyrrolidine-3-carboxylate;(6-methylnaphthalen-2-yl)methyl 2,2,5,5-tetramethylpyrrolidine-3-carboxylate;(5-methylnaphthalen-1-yl) 1,2,2,5,5-pentamethylpyrrolidine-3-carboxylate;(6-methylnaphthalen-2-yl) 1,2,2,5,5-pentamethylpyrrolidine-3-carboxylate;(5-methylnaphthalen-1-yl) 2,2,5,5-tetramethylpyrrolidine-3-carboxylate;(6-methylnaphthalen-2-yl) 2,2,5,5-tetramethylpyrrolidine-3-carboxylate (CID 159078345) is (6-methoxycarbonylnaphthalen-2-yl) 2,2,5,5-tetramethylpyrrolidine-3-carboxylate;(6-methylnaphthalen-2-yl)methyl 1,2,2,5,5-pentamethylpyrrolidine-3-carboxylate;(6-methylnaphthalen-2-yl)methyl 2,2,5,5-tetramethylpyrrolidine-3-carboxylate;(5-methylnaphthalen-1-yl) 1,2,2,5,5-pentamethylpyrrolidine-3-carboxylate;(6-methylnaphthalen-2-yl) 1,2,2,5,5-pentamethylpyrrolidine-3-carboxylate;(5-methylnaphthalen-1-yl) 2,2,5,5-tetramethylpyrrolidine-3-carboxylate;(6-methylnaphthalen-2-yl) 2,2,5,5-tetramethylpyrrolidine-3-carboxylate.
What is the SMILES notation for (6-methoxycarbonylnaphthalen-2-yl) 2,2,5,5-tetramethylpyrrolidine-3-carboxylate;(6-methylnaphthalen-2-yl)methyl 1,2,2,5,5-pentamethylpyrrolidine-3-carboxylate;(6-methylnaphthalen-2-yl)methyl 2,2,5,5-tetramethylpyrrolidine-3-carboxylate;(5-methylnaphthalen-1-yl) 1,2,2,5,5-pentamethylpyrrolidine-3-carboxylate;(6-methylnaphthalen-2-yl) 1,2,2,5,5-pentamethylpyrrolidine-3-carboxylate;(5-methylnaphthalen-1-yl) 2,2,5,5-tetramethylpyrrolidine-3-carboxylate;(6-methylnaphthalen-2-yl) 2,2,5,5-tetramethylpyrrolidine-3-carboxylate?
The canonical SMILES for (6-methoxycarbonylnaphthalen-2-yl) 2,2,5,5-tetramethylpyrrolidine-3-carboxylate;(6-methylnaphthalen-2-yl)methyl 1,2,2,5,5-pentamethylpyrrolidine-3-carboxylate;(6-methylnaphthalen-2-yl)methyl 2,2,5,5-tetramethylpyrrolidine-3-carboxylate;(5-methylnaphthalen-1-yl) 1,2,2,5,5-pentamethylpyrrolidine-3-carboxylate;(6-methylnaphthalen-2-yl) 1,2,2,5,5-pentamethylpyrrolidine-3-carboxylate;(5-methylnaphthalen-1-yl) 2,2,5,5-tetramethylpyrrolidine-3-carboxylate;(6-methylnaphthalen-2-yl) 2,2,5,5-tetramethylpyrrolidine-3-carboxylate is COC(=O)c1ccc2cc(OC(=O)C3CC(C)(C)NC3(C)C)ccc2c1.Cc1ccc2cc(COC(=O)C3CC(C)(C)N(C)C3(C)C)ccc2c1.Cc1ccc2cc(COC(=O)C3CC(C)(C)NC3(C)C)ccc2c1.Cc1ccc2cc(OC(=O)C3CC(C)(C)N(C)C3(C)C)ccc2c1.Cc1ccc2cc(OC(=O)C3CC(C)(C)NC3(C)C)ccc2c1.Cc1cccc2c(OC(=O)C3CC(C)(C)N(C)C3(C)C)cccc12.Cc1cccc2c(OC(=O)C3CC(C)(C)NC3(C)C)cccc12.
What is the InChIKey of (6-methoxycarbonylnaphthalen-2-yl) 2,2,5,5-tetramethylpyrrolidine-3-carboxylate;(6-methylnaphthalen-2-yl)methyl 1,2,2,5,5-pentamethylpyrrolidine-3-carboxylate;(6-methylnaphthalen-2-yl)methyl 2,2,5,5-tetramethylpyrrolidine-3-carboxylate;(5-methylnaphthalen-1-yl) 1,2,2,5,5-pentamethylpyrrolidine-3-carboxylate;(6-methylnaphthalen-2-yl) 1,2,2,5,5-pentamethylpyrrolidine-3-carboxylate;(5-methylnaphthalen-1-yl) 2,2,5,5-tetramethylpyrrolidine-3-carboxylate;(6-methylnaphthalen-2-yl) 2,2,5,5-tetramethylpyrrolidine-3-carboxylate?
The InChIKey is KANMKDBPOLXLNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29NO2.C21H25NO4.3C21H27NO2.2C20H25NO2/c1-15-7-9-18-12-16(8-10-17(18)11-15)14-25-20(24)19-13-21(2,3)23(6)22(19,4)5;1-20(2)12-17(21(3,4)22-20)19(24)26-16-9-8-13-10-15(18(23)25-5)7-6-14(13)11-16;1-14-9-7-11-16-15(14)10-8-12-18(16)24-19(23)17-13-20(2,3)22(6)21(17,4)5;1-14-7-8-16-12-17(10-9-15(16)11-14)24-19(23)18-13-20(2,3)22(6)21(18,4)5;1-14-6-8-17-11-15(7-9-16(17)10-14)13-24-19(23)18-12-20(2,3)22-21(18,4)5;1-13-8-6-10-15-14(13)9-7-11-17(15)23-18(22)16-12-19(2,3)21-20(16,4)5;1-13-6-7-15-11-16(9-8-14(15)10-13)23-18(22)17-12-19(2,3)21-20(17,4)5/h7-12,19H,13-14H2,1-6H3;6-11,17,22H,12H2,1-5H3;7-12,17H,13H2,1-6H3;7-12,18H,13H2,1-6H3;6-11,18,22H,12-13H2,1-5H3;6-11,16,21H,12H2,1-5H3;6-11,17,21H,12H2,1-5H3.
What are the key properties of (6-methoxycarbonylnaphthalen-2-yl) 2,2,5,5-tetramethylpyrrolidine-3-carboxylate;(6-methylnaphthalen-2-yl)methyl 1,2,2,5,5-pentamethylpyrrolidine-3-carboxylate;(6-methylnaphthalen-2-yl)methyl 2,2,5,5-tetramethylpyrrolidine-3-carboxylate;(5-methylnaphthalen-1-yl) 1,2,2,5,5-pentamethylpyrrolidine-3-carboxylate;(6-methylnaphthalen-2-yl) 1,2,2,5,5-pentamethylpyrrolidine-3-carboxylate;(5-methylnaphthalen-1-yl) 2,2,5,5-tetramethylpyrrolidine-3-carboxylate;(6-methylnaphthalen-2-yl) 2,2,5,5-tetramethylpyrrolidine-3-carboxylate?
(6-methoxycarbonylnaphthalen-2-yl) 2,2,5,5-tetramethylpyrrolidine-3-carboxylate;(6-methylnaphthalen-2-yl)methyl 1,2,2,5,5-pentamethylpyrrolidine-3-carboxylate;(6-methylnaphthalen-2-yl)methyl 2,2,5,5-tetramethylpyrrolidine-3-carboxylate;(5-methylnaphthalen-1-yl) 1,2,2,5,5-pentamethylpyrrolidine-3-carboxylate;(6-methylnaphthalen-2-yl) 1,2,2,5,5-pentamethylpyrrolidine-3-carboxylate;(5-methylnaphthalen-1-yl) 2,2,5,5-tetramethylpyrrolidine-3-carboxylate;(6-methylnaphthalen-2-yl) 2,2,5,5-tetramethylpyrrolidine-3-carboxylate has a molecular weight of 2294.12 g/mol, XLogP of 30.32, 17 rotatable bonds, 4 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for (6-methoxycarbonylnaphthalen-2-yl) 2,2,5,5-tetramethylpyrrolidine-3-carboxylate;(6-methylnaphthalen-2-yl)methyl 1,2,2,5,5-pentamethylpyrrolidine-3-carboxylate;(6-methylnaphthalen-2-yl)methyl 2,2,5,5-tetramethylpyrrolidine-3-carboxylate;(5-methylnaphthalen-1-yl) 1,2,2,5,5-pentamethylpyrrolidine-3-carboxylate;(6-methylnaphthalen-2-yl) 1,2,2,5,5-pentamethylpyrrolidine-3-carboxylate;(5-methylnaphthalen-1-yl) 2,2,5,5-tetramethylpyrrolidine-3-carboxylate;(6-methylnaphthalen-2-yl) 2,2,5,5-tetramethylpyrrolidine-3-carboxylate is sourced from PubChem (CID 159078345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).