1-[1-tert-butyl-4-[(5-chloro-2-pyridinyl)oxy]pyrrolidin-2-yl]-2,2-dimethylpropan-1-one;1-(1-tert-butyl-5-methylpyrrolidin-2-yl)-2,2-dimethylpropan-1-one;1-(1-tert-butyl-4-naphthalen-1-yloxypyrrolidin-2-yl)-2,2-dimethylpropan-1-one;1-(1-tert-butyl-4-naphthalen-2-yloxypyrrolidin-2-yl)-2,2-dimethylpropan-1-one;1-(1-tert-butyl-4-phenoxypyrrolidin-2-yl)-2,2-dimethylpropan-1-one;1-(1-tert-butyl-5-phenylpyrrolidin-2-yl)-2,2-dimethylpropan-1-one;1-(1-tert-butyl-4-quinazolin-4-yloxypyrrolidin-2-yl)-2,2-dimethylpropan-1-one

C137H203ClN10O12 — CID 158604428

IUPAC1-[1-tert-butyl-4-[(5-chloro-2-pyridinyl)oxy]pyrrolidin-2-yl]-2,2-dimethylpropan-1-one;1-(1-tert-butyl-5-methylpyrrolidin-2-yl)-2,2-dimethylpropan-1-one;1-(1-tert-butyl-4-naphthalen-1-yloxypyrrolidin-2-yl)-2,2-dimethylpropan-1-one;1-(1-tert-butyl-4-naphthalen-2-yloxypyrrolidin-2-yl)-2,2-dimethylpropan-1-one;1-(1-tert-butyl-4-phenoxypyrrolidin-2-yl)-2,2-dimethylpropan-1-one;1-(1-tert-butyl-5-phenylpyrrolidin-2-yl)-2,2-dimethylpropan-1-one;1-(1-tert-butyl-4-quinazolin-4-yloxypyrrolidin-2-yl)-2,2-dimethylpropan-1-one
SMILESCC(C)(C)C(=O)C1CC(Oc2ccc(Cl)cn2)CN1C(C)(C)C.CC(C)(C)C(=O)C1CC(Oc2ccc3ccccc3c2)CN1C(C)(C)C.CC(C)(C)C(=O)C1CC(Oc2cccc3ccccc23)CN1C(C)(C)C.CC(C)(C)C(=O)C1CC(Oc2ccccc2)CN1C(C)(C)C.CC(C)(C)C(=O)C1CC(Oc2ncnc3ccccc23)CN1C(C)(C)C.CC(C)(C)C(=O)C1CCC(c2ccccc2)N1C(C)(C)C.CC1CCC(C(=O)C(C)(C)C)N1C(C)(C)C
InChIInChI=1S/2C23H31NO2.C21H29N3O2.C19H29NO2.C19H29NO.C18H27ClN2O2.C14H27NO/c1-22(2,3)21(25)19-14-17(15-24(19)23(4,5)6)26-20-13-9-11-16-10-7-8-12-18(16)20;1-22(2,3)21(25)20-14-19(15-24(20)23(4,5)6)26-18-12-11-16-9-7-8-10-17(16)13-18;1-20(2,3)18(25)17-11-14(12-24(17)21(4,5)6)26-19-15-9-7-8-10-16(15)22-13-23-19;1-18(2,3)17(21)16-12-15(13-20(16)19(4,5)6)22-14-10-8-7-9-11-14;1-18(2,3)17(21)16-13-12-15(20(16)19(4,5)6)14-10-8-7-9-11-14;1-17(2,3)16(22)14-9-13(11-21(14)18(4,5)6)23-15-8-7-12(19)10-20-15;1-10-8-9-11(12(16)13(2,3)4)15(10)14(5,6)7/h7-13,17,19H,14-15H2,1-6H3;7-13,19-20H,14-15H2,1-6H3;7-10,13-14,17H,11-12H2,1-6H3;7-11,15-16H,12-13H2,1-6H3;7-11,15-16H,12-13H2,1-6H3;7-8,10,13-14H,9,11H2,1-6H3;10-11H,8-9H2,1-7H3
InChIKeyHWAQMPVHQZXRKO-UHFFFAOYSA-N
MW2217.64 g/mol
LogP29.77
Rot. Bonds18

About 1-[1-tert-butyl-4-[(5-chloro-2-pyridinyl)oxy]pyrrolidin-2-yl]-2,2-dimethylpropan-1-one;1-(1-tert-butyl-5-methylpyrrolidin-2-yl)-2,2-dimethylpropan-1-one;1-(1-tert-butyl-4-naphthalen-1-yloxypyrrolidin-2-yl)-2,2-dimethylpropan-1-one;1-(1-tert-butyl-4-naphthalen-2-yloxypyrrolidin-2-yl)-2,2-dimethylpropan-1-one;1-(1-tert-butyl-4-phenoxypyrrolidin-2-yl)-2,2-dimethylpropan-1-one;1-(1-tert-butyl-5-phenylpyrrolidin-2-yl)-2,2-dimethylpropan-1-one;1-(1-tert-butyl-4-quinazolin-4-yloxypyrrolidin-2-yl)-2,2-dimethylpropan-1-one

1-[1-tert-butyl-4-[(5-chloro-2-pyridinyl)oxy]pyrrolidin-2-yl]-2,2-dimethylpropan-1-one;1-(1-tert-butyl-5-methylpyrrolidin-2-yl)-2,2-dimethylpropan-1-one;1-(1-tert-butyl-4-naphthalen-1-yloxypyrrolidin-2-yl)-2,2-dimethylpropan-1-one;1-(1-tert-butyl-4-naphthalen-2-yloxypyrrolidin-2-yl)-2,2-dimethylpropan-1-one;1-(1-tert-butyl-4-phenoxypyrrolidin-2-yl)-2,2-dimethylpropan-1-one;1-(1-tert-butyl-5-phenylpyrrolidin-2-yl)-2,2-dimethylpropan-1-one;1-(1-tert-butyl-4-quinazolin-4-yloxypyrrolidin-2-yl)-2,2-dimethylpropan-1-one (PubChem CID 158604428) has the molecular formula C137H203ClN10O12 and a molecular weight of 2217.64 g/mol. Its IUPAC name is 1-[1-tert-butyl-4-[(5-chloro-2-pyridinyl)oxy]pyrrolidin-2-yl]-2,2-dimethylpropan-1-one;1-(1-tert-butyl-5-methylpyrrolidin-2-yl)-2,2-dimethylpropan-1-one;1-(1-tert-butyl-4-naphthalen-1-yloxypyrrolidin-2-yl)-2,2-dimethylpropan-1-one;1-(1-tert-butyl-4-naphthalen-2-yloxypyrrolidin-2-yl)-2,2-dimethylpropan-1-one;1-(1-tert-butyl-4-phenoxypyrrolidin-2-yl)-2,2-dimethylpropan-1-one;1-(1-tert-butyl-5-phenylpyrrolidin-2-yl)-2,2-dimethylpropan-1-one;1-(1-tert-butyl-4-quinazolin-4-yloxypyrrolidin-2-yl)-2,2-dimethylpropan-1-one.

Molecular Properties

Compound Name1-[1-tert-butyl-4-[(5-chloro-2-pyridinyl)oxy]pyrrolidin-2-yl]-2,2-dimethylpropan-1-one;1-(1-tert-butyl-5-methylpyrrolidin-2-yl)-2,2-dimethylpropan-1-one;1-(1-tert-butyl-4-naphthalen-1-yloxypyrrolidin-2-yl)-2,2-dimethylpropan-1-one;1-(1-tert-butyl-4-naphthalen-2-yloxypyrrolidin-2-yl)-2,2-dimethylpropan-1-one;1-(1-tert-butyl-4-phenoxypyrrolidin-2-yl)-2,2-dimethylpropan-1-one;1-(1-tert-butyl-5-phenylpyrrolidin-2-yl)-2,2-dimethylpropan-1-one;1-(1-tert-butyl-4-quinazolin-4-yloxypyrrolidin-2-yl)-2,2-dimethylpropan-1-one
PubChem CID158604428
Molecular FormulaC137H203ClN10O12
Molecular Weight2217.64 g/mol
Exact Mass2215.53
IUPAC Name1-[1-tert-butyl-4-[(5-chloro-2-pyridinyl)oxy]pyrrolidin-2-yl]-2,2-dimethylpropan-1-one;1-(1-tert-butyl-5-methylpyrrolidin-2-yl)-2,2-dimethylpropan-1-one;1-(1-tert-butyl-4-naphthalen-1-yloxypyrrolidin-2-yl)-2,2-dimethylpropan-1-one;1-(1-tert-butyl-4-naphthalen-2-yloxypyrrolidin-2-yl)-2,2-dimethylpropan-1-one;1-(1-tert-butyl-4-phenoxypyrrolidin-2-yl)-2,2-dimethylpropan-1-one;1-(1-tert-butyl-5-phenylpyrrolidin-2-yl)-2,2-dimethylpropan-1-one;1-(1-tert-butyl-4-quinazolin-4-yloxypyrrolidin-2-yl)-2,2-dimethylpropan-1-one
SMILESCC(C)(C)C(=O)C1CC(Oc2ccc(Cl)cn2)CN1C(C)(C)C.CC(C)(C)C(=O)C1CC(Oc2ccc3ccccc3c2)CN1C(C)(C)C.CC(C)(C)C(=O)C1CC(Oc2cccc3ccccc23)CN1C(C)(C)C.CC(C)(C)C(=O)C1CC(Oc2ccccc2)CN1C(C)(C)C.CC(C)(C)C(=O)C1CC(Oc2ncnc3ccccc23)CN1C(C)(C)C.CC(C)(C)C(=O)C1CCC(c2ccccc2)N1C(C)(C)C.CC1CCC(C(=O)C(C)(C)C)N1C(C)(C)C
InChIInChI=1S/2C23H31NO2.C21H29N3O2.C19H29NO2.C19H29NO.C18H27ClN2O2.C14H27NO/c1-22(2,3)21(25)19-14-17(15-24(19)23(4,5)6)26-20-13-9-11-16-10-7-8-12-18(16)20;1-22(2,3)21(25)20-14-19(15-24(20)23(4,5)6)26-18-12-11-16-9-7-8-10-17(16)13-18;1-20(2,3)18(25)17-11-14(12-24(17)21(4,5)6)26-19-15-9-7-8-10-16(15)22-13-23-19;1-18(2,3)17(21)16-12-15(13-20(16)19(4,5)6)22-14-10-8-7-9-11-14;1-18(2,3)17(21)16-13-12-15(20(16)19(4,5)6)14-10-8-7-9-11-14;1-17(2,3)16(22)14-9-13(11-21(14)18(4,5)6)23-15-8-7-12(19)10-20-15;1-10-8-9-11(12(16)13(2,3)4)15(10)14(5,6)7/h7-13,17,19H,14-15H2,1-6H3;7-13,19-20H,14-15H2,1-6H3;7-10,13-14,17H,11-12H2,1-6H3;7-11,15-16H,12-13H2,1-6H3;7-11,15-16H,12-13H2,1-6H3;7-8,10,13-14H,9,11H2,1-6H3;10-11H,8-9H2,1-7H3
InChIKeyHWAQMPVHQZXRKO-UHFFFAOYSA-N
XLogP29.77
TPSA226.99 Ų
H-Bond Donors
H-Bond Acceptors22
Rotatable Bonds18
Heavy Atoms160
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002217.64
LogP ≤ 529.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1022

Analyze 1-[1-tert-butyl-4-[(5-chloro-2-pyridinyl)oxy]pyrrolidin-2-yl]-2,2-dimethylpropan-1-one;1-(1-tert-butyl-5-methylpyrrolidin-2-yl)-2,2-dimethylpropan-1-one;1-(1-tert-butyl-4-naphthalen-1-yloxypyrrolidin-2-yl)-2,2-dimethylpropan-1-one;1-(1-tert-butyl-4-naphthalen-2-yloxypyrrolidin-2-yl)-2,2-dimethylpropan-1-one;1-(1-tert-butyl-4-phenoxypyrrolidin-2-yl)-2,2-dimethylpropan-1-one;1-(1-tert-butyl-5-phenylpyrrolidin-2-yl)-2,2-dimethylpropan-1-one;1-(1-tert-butyl-4-quinazolin-4-yloxypyrrolidin-2-yl)-2,2-dimethylpropan-1-one with MolForge

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Related Compounds

5-Chloro-2-(1,5-ditert-butylpyrrolidin-3-yl)oxypyridine;2-(1,5-ditert-butylpyrrolidin-3-yl)oxypyridine;bis(4-(1,5-ditert-butylpyrrolidin-3-yl)oxypyrimidine);4-(1,5-ditert-butylpyrrolidin-3-yl)oxyquinazoline
CID 158276557
5-chloro-2-(1,5-ditert-butylpyrrolidin-3-yl)oxypyridine;1,2-ditert-butyl-4-naphthalen-1-yloxypyrrolidine;1,2-ditert-butyl-4-naphthalen-2-yloxypyrrolidine;1,2-ditert-butyl-4-phenoxypyrrolidine;(1,5-ditert-butylpyrrolidin-3-yl) 3,4-dihydro-1H-isoquinoline-2-carboxylate;(1,5-ditert-butylpyrrolidin-3-yl) naphthalene-2-carboxylate;1-(1,5-ditert-butylpyrrolidin-3-yl)oxyisoquinoline;4-(1,5-ditert-butylpyrrolidin-3-yl)oxyisoquinoline;4-(1,5-ditert-butylpyrrolidin-3-yl)oxyquinazoline;4-(1,5-ditert-butylpyrrolidin-3-yl)oxyquinoline
CID 158620510
1-[4-[(5-Chloro-2-pyridinyl)oxy]-1-methylpyrrolidin-2-yl]ethanone;1-(5-cyclohexyl-1-methylpyrrolidin-2-yl)ethanone;1-(1,5-dimethylpyrrolidin-2-yl)ethanone;1-(3-ethyl-1,4-dimethylpyrrolidin-2-yl)ethanone;1-(4-ethyl-1,3-dimethylpyrrolidin-2-yl)ethanone;1-(1-methyl-5-phenylpyrrolidin-2-yl)ethanone;1-(1-methyl-4-quinazolin-4-yloxypyrrolidin-2-yl)ethanone;1-(1,3,4-trimethylpyrrolidin-2-yl)ethanone
CID 158813004
1-[4-[(5-Chloro-2-pyridinyl)oxy]-1-methylpyrrolidin-2-yl]ethanone;1-(5-cyclohexyl-1-methylpyrrolidin-2-yl)ethanone;1-[4-(5,8-dihydroquinazolin-4-yloxy)-1-methylpyrrolidin-2-yl]ethanone;1-(1,5-dimethylpyrrolidin-2-yl)ethanone;1-(3-ethyl-1,4-dimethylpyrrolidin-2-yl)ethanone;1-(4-ethyl-1,3-dimethylpyrrolidin-2-yl)ethanone;1-(1-methyl-4-naphthalen-1-yloxypyrrolidin-2-yl)ethanone;1-(1-methyl-4-naphthalen-2-yloxypyrrolidin-2-yl)ethanone;1-(1-methyl-5-phenylpyrrolidin-2-yl)ethanone;1-(1,3,4-trimethylpyrrolidin-2-yl)ethanone
CID 158828907
1,2-ditert-butyl-4-naphthalen-1-yloxypyrrolidine;1,2-ditert-butyl-4-naphthalen-2-yloxypyrrolidine;1,2-ditert-butyl-4-phenoxypyrrolidine;(1,5-ditert-butylpyrrolidin-3-yl) 3,4-dihydro-1H-isoquinoline-2-carboxylate;(1,5-ditert-butylpyrrolidin-3-yl) naphthalene-2-carboxylate;4-(1,5-ditert-butylpyrrolidin-3-yl)oxyquinazoline
CID 158979996
5-chloro-2-(1,5-ditert-butylpyrrolidin-3-yl)oxypyridine;1,2-ditert-butyl-4-naphthalen-1-yloxypyrrolidine;1,2-ditert-butyl-4-naphthalen-2-yloxypyrrolidine;1,2-ditert-butyl-4-phenoxypyrrolidine;(1,5-ditert-butylpyrrolidin-3-yl) 3,4-dihydro-1H-isoquinoline-2-carboxylate;(1,5-ditert-butylpyrrolidin-3-yl) naphthalene-2-carboxylate;1-(1,5-ditert-butylpyrrolidin-3-yl)oxyisoquinoline;4-(1,5-ditert-butylpyrrolidin-3-yl)oxyisoquinoline;4-(1,5-ditert-butylpyrrolidin-3-yl)oxyquinazoline
CID 159149673
1-[4-[(5-Chloro-2-pyridinyl)oxy]-1-methylpyrrolidin-2-yl]ethanone;1-(5-cyclohexyl-1-methylpyrrolidin-2-yl)ethanone;1-(1,5-dimethylpyrrolidin-2-yl)ethanone;1-(3-ethyl-1,4-dimethylpyrrolidin-2-yl)ethanone;1-(4-ethyl-1,3-dimethylpyrrolidin-2-yl)ethanone;1-(1-methyl-4-naphthalen-1-yloxypyrrolidin-2-yl)ethanone;1-(1-methyl-4-naphthalen-2-yloxypyrrolidin-2-yl)ethanone;1-(1-methyl-5-phenylpyrrolidin-2-yl)ethanone;1-(1-methyl-4-quinazolin-4-yloxypyrrolidin-2-yl)ethanone;1-(1,3,4-trimethylpyrrolidin-2-yl)ethanone
CID 159818045
[1-tert-butyl-5-(2,2-dimethylpropanoyl)pyrrolidin-3-yl] 3,4-dihydro-1H-isoquinoline-2-carboxylate;[1-tert-butyl-5-(2,2-dimethylpropanoyl)pyrrolidin-3-yl] naphthalene-2-carboxylate;1-(1-tert-butyl-4-naphthalen-1-yloxypyrrolidin-2-yl)-2,2-dimethylpropan-1-one;1-(1-tert-butyl-4-naphthalen-2-yloxypyrrolidin-2-yl)-2,2-dimethylpropan-1-one;1-(1-tert-butyl-4-phenoxypyrrolidin-2-yl)-2,2-dimethylpropan-1-one;1-(1-tert-butyl-4-quinazolin-4-yloxypyrrolidin-2-yl)-2,2-dimethylpropan-1-one
CID 160029905
5-chloro-2-(1,5-ditert-butylpyrrolidin-3-yl)oxypyridine;1,2-ditert-butyl-4-naphthalen-1-yloxypyrrolidine;1,2-ditert-butyl-4-naphthalen-2-yloxypyrrolidine;1,2-ditert-butyl-4-phenoxypyrrolidine;(1,5-ditert-butylpyrrolidin-3-yl) 3,4-dihydro-1H-isoquinoline-2-carboxylate;(1,5-ditert-butylpyrrolidin-3-yl) naphthalene-2-carboxylate;1-(1,5-ditert-butylpyrrolidin-3-yl)oxyisoquinoline;4-(1,5-ditert-butylpyrrolidin-3-yl)oxyquinazoline
CID 160159573
(5-acetyl-1-methylpyrrolidin-3-yl) 3,4-dihydro-1H-isoquinoline-2-carboxylate;1-[4-[(5-chloro-2-pyridinyl)oxy]-1-methylpyrrolidin-2-yl]ethanone;1-(1,5-dimethylpyrrolidin-2-yl)ethanone;1-(1-methyl-4-naphthalen-1-yloxypyrrolidin-2-yl)ethanone;1-(1-methyl-4-naphthalen-2-yloxypyrrolidin-2-yl)ethanone;1-(1-methyl-4-phenoxypyrrolidin-2-yl)ethanone;1-(1-methyl-4-phenylpyrrolidin-2-yl)ethanone;1-(1-methyl-5-phenylpyrrolidin-2-yl)ethanone;1-(1-methyl-4-quinazolin-4-yloxypyrrolidin-2-yl)ethanone
CID 160260886
5-acetyl-1-methylpyrrolidine-3-carbonitrile;(5-acetyl-1-methylpyrrolidin-3-yl) 3,4-dihydro-1H-isoquinoline-2-carboxylate;(5-acetyl-1-methylpyrrolidin-3-yl) naphthalene-2-carboxylate;1-(3-butan-2-yl-1-methylpyrrolidin-2-yl)ethanone;1-[4-[(5-chloro-2-pyridinyl)oxy]-1-methylpyrrolidin-2-yl]ethanone;1-(3-cyclohexyl-1-methylpyrrolidin-2-yl)ethanone;1-(1,3-dimethylpyrrolidin-2-yl)ethanone;1-(3-ethyl-1-methylpyrrolidin-2-yl)ethanone;1-(1-methyl-4-naphthalen-1-yloxypyrrolidin-2-yl)ethanone;1-(1-methyl-4-naphthalen-2-yloxypyrrolidin-2-yl)ethanone;1-(1-methyl-4-phenoxypyrrolidin-2-yl)ethanone;1-(1-methyl-4-phenylpyrrolidin-2-yl)ethanone;1-(1-methyl-3-propan-2-ylpyrrolidin-2-yl)ethanone;1-(1-methyl-3-prop-2-enylpyrrolidin-2-yl)ethanone;1-(1-methyl-4-quinazolin-4-yloxypyrrolidin-2-yl)ethanone
CID 160514690
1-[4-[(5-Chloro-2-pyridinyl)oxy]-1-methylpyrrolidin-2-yl]ethanone;1-(5-cyclohexyl-1-methylpyrrolidin-2-yl)ethanone;1-(1,5-dimethylpyrrolidin-2-yl)ethanone;1-(4-ethyl-1,3-dimethylpyrrolidin-2-yl)ethanone;1-(1-methyl-5-phenylpyrrolidin-2-yl)ethanone;1-(1-methyl-4-quinazolin-4-yloxypyrrolidin-2-yl)ethanone;1-(1,3,4-trimethylpyrrolidin-2-yl)ethanone
CID 160589630

Frequently Asked Questions

What is the IUPAC name of 1-[1-tert-butyl-4-[(5-chloro-2-pyridinyl)oxy]pyrrolidin-2-yl]-2,2-dimethylpropan-1-one;1-(1-tert-butyl-5-methylpyrrolidin-2-yl)-2,2-dimethylpropan-1-one;1-(1-tert-butyl-4-naphthalen-1-yloxypyrrolidin-2-yl)-2,2-dimethylpropan-1-one;1-(1-tert-butyl-4-naphthalen-2-yloxypyrrolidin-2-yl)-2,2-dimethylpropan-1-one;1-(1-tert-butyl-4-phenoxypyrrolidin-2-yl)-2,2-dimethylpropan-1-one;1-(1-tert-butyl-5-phenylpyrrolidin-2-yl)-2,2-dimethylpropan-1-one;1-(1-tert-butyl-4-quinazolin-4-yloxypyrrolidin-2-yl)-2,2-dimethylpropan-1-one?
The IUPAC name of 1-[1-tert-butyl-4-[(5-chloro-2-pyridinyl)oxy]pyrrolidin-2-yl]-2,2-dimethylpropan-1-one;1-(1-tert-butyl-5-methylpyrrolidin-2-yl)-2,2-dimethylpropan-1-one;1-(1-tert-butyl-4-naphthalen-1-yloxypyrrolidin-2-yl)-2,2-dimethylpropan-1-one;1-(1-tert-butyl-4-naphthalen-2-yloxypyrrolidin-2-yl)-2,2-dimethylpropan-1-one;1-(1-tert-butyl-4-phenoxypyrrolidin-2-yl)-2,2-dimethylpropan-1-one;1-(1-tert-butyl-5-phenylpyrrolidin-2-yl)-2,2-dimethylpropan-1-one;1-(1-tert-butyl-4-quinazolin-4-yloxypyrrolidin-2-yl)-2,2-dimethylpropan-1-one (CID 158604428) is 1-[1-tert-butyl-4-[(5-chloro-2-pyridinyl)oxy]pyrrolidin-2-yl]-2,2-dimethylpropan-1-one;1-(1-tert-butyl-5-methylpyrrolidin-2-yl)-2,2-dimethylpropan-1-one;1-(1-tert-butyl-4-naphthalen-1-yloxypyrrolidin-2-yl)-2,2-dimethylpropan-1-one;1-(1-tert-butyl-4-naphthalen-2-yloxypyrrolidin-2-yl)-2,2-dimethylpropan-1-one;1-(1-tert-butyl-4-phenoxypyrrolidin-2-yl)-2,2-dimethylpropan-1-one;1-(1-tert-butyl-5-phenylpyrrolidin-2-yl)-2,2-dimethylpropan-1-one;1-(1-tert-butyl-4-quinazolin-4-yloxypyrrolidin-2-yl)-2,2-dimethylpropan-1-one.
What is the SMILES notation for 1-[1-tert-butyl-4-[(5-chloro-2-pyridinyl)oxy]pyrrolidin-2-yl]-2,2-dimethylpropan-1-one;1-(1-tert-butyl-5-methylpyrrolidin-2-yl)-2,2-dimethylpropan-1-one;1-(1-tert-butyl-4-naphthalen-1-yloxypyrrolidin-2-yl)-2,2-dimethylpropan-1-one;1-(1-tert-butyl-4-naphthalen-2-yloxypyrrolidin-2-yl)-2,2-dimethylpropan-1-one;1-(1-tert-butyl-4-phenoxypyrrolidin-2-yl)-2,2-dimethylpropan-1-one;1-(1-tert-butyl-5-phenylpyrrolidin-2-yl)-2,2-dimethylpropan-1-one;1-(1-tert-butyl-4-quinazolin-4-yloxypyrrolidin-2-yl)-2,2-dimethylpropan-1-one?
The canonical SMILES for 1-[1-tert-butyl-4-[(5-chloro-2-pyridinyl)oxy]pyrrolidin-2-yl]-2,2-dimethylpropan-1-one;1-(1-tert-butyl-5-methylpyrrolidin-2-yl)-2,2-dimethylpropan-1-one;1-(1-tert-butyl-4-naphthalen-1-yloxypyrrolidin-2-yl)-2,2-dimethylpropan-1-one;1-(1-tert-butyl-4-naphthalen-2-yloxypyrrolidin-2-yl)-2,2-dimethylpropan-1-one;1-(1-tert-butyl-4-phenoxypyrrolidin-2-yl)-2,2-dimethylpropan-1-one;1-(1-tert-butyl-5-phenylpyrrolidin-2-yl)-2,2-dimethylpropan-1-one;1-(1-tert-butyl-4-quinazolin-4-yloxypyrrolidin-2-yl)-2,2-dimethylpropan-1-one is CC(C)(C)C(=O)C1CC(Oc2ccc(Cl)cn2)CN1C(C)(C)C.CC(C)(C)C(=O)C1CC(Oc2ccc3ccccc3c2)CN1C(C)(C)C.CC(C)(C)C(=O)C1CC(Oc2cccc3ccccc23)CN1C(C)(C)C.CC(C)(C)C(=O)C1CC(Oc2ccccc2)CN1C(C)(C)C.CC(C)(C)C(=O)C1CC(Oc2ncnc3ccccc23)CN1C(C)(C)C.CC(C)(C)C(=O)C1CCC(c2ccccc2)N1C(C)(C)C.CC1CCC(C(=O)C(C)(C)C)N1C(C)(C)C.
What is the InChIKey of 1-[1-tert-butyl-4-[(5-chloro-2-pyridinyl)oxy]pyrrolidin-2-yl]-2,2-dimethylpropan-1-one;1-(1-tert-butyl-5-methylpyrrolidin-2-yl)-2,2-dimethylpropan-1-one;1-(1-tert-butyl-4-naphthalen-1-yloxypyrrolidin-2-yl)-2,2-dimethylpropan-1-one;1-(1-tert-butyl-4-naphthalen-2-yloxypyrrolidin-2-yl)-2,2-dimethylpropan-1-one;1-(1-tert-butyl-4-phenoxypyrrolidin-2-yl)-2,2-dimethylpropan-1-one;1-(1-tert-butyl-5-phenylpyrrolidin-2-yl)-2,2-dimethylpropan-1-one;1-(1-tert-butyl-4-quinazolin-4-yloxypyrrolidin-2-yl)-2,2-dimethylpropan-1-one?
The InChIKey is HWAQMPVHQZXRKO-UHFFFAOYSA-N. The full InChI is InChI=1S/2C23H31NO2.C21H29N3O2.C19H29NO2.C19H29NO.C18H27ClN2O2.C14H27NO/c1-22(2,3)21(25)19-14-17(15-24(19)23(4,5)6)26-20-13-9-11-16-10-7-8-12-18(16)20;1-22(2,3)21(25)20-14-19(15-24(20)23(4,5)6)26-18-12-11-16-9-7-8-10-17(16)13-18;1-20(2,3)18(25)17-11-14(12-24(17)21(4,5)6)26-19-15-9-7-8-10-16(15)22-13-23-19;1-18(2,3)17(21)16-12-15(13-20(16)19(4,5)6)22-14-10-8-7-9-11-14;1-18(2,3)17(21)16-13-12-15(20(16)19(4,5)6)14-10-8-7-9-11-14;1-17(2,3)16(22)14-9-13(11-21(14)18(4,5)6)23-15-8-7-12(19)10-20-15;1-10-8-9-11(12(16)13(2,3)4)15(10)14(5,6)7/h7-13,17,19H,14-15H2,1-6H3;7-13,19-20H,14-15H2,1-6H3;7-10,13-14,17H,11-12H2,1-6H3;7-11,15-16H,12-13H2,1-6H3;7-11,15-16H,12-13H2,1-6H3;7-8,10,13-14H,9,11H2,1-6H3;10-11H,8-9H2,1-7H3.
What are the key properties of 1-[1-tert-butyl-4-[(5-chloro-2-pyridinyl)oxy]pyrrolidin-2-yl]-2,2-dimethylpropan-1-one;1-(1-tert-butyl-5-methylpyrrolidin-2-yl)-2,2-dimethylpropan-1-one;1-(1-tert-butyl-4-naphthalen-1-yloxypyrrolidin-2-yl)-2,2-dimethylpropan-1-one;1-(1-tert-butyl-4-naphthalen-2-yloxypyrrolidin-2-yl)-2,2-dimethylpropan-1-one;1-(1-tert-butyl-4-phenoxypyrrolidin-2-yl)-2,2-dimethylpropan-1-one;1-(1-tert-butyl-5-phenylpyrrolidin-2-yl)-2,2-dimethylpropan-1-one;1-(1-tert-butyl-4-quinazolin-4-yloxypyrrolidin-2-yl)-2,2-dimethylpropan-1-one?
1-[1-tert-butyl-4-[(5-chloro-2-pyridinyl)oxy]pyrrolidin-2-yl]-2,2-dimethylpropan-1-one;1-(1-tert-butyl-5-methylpyrrolidin-2-yl)-2,2-dimethylpropan-1-one;1-(1-tert-butyl-4-naphthalen-1-yloxypyrrolidin-2-yl)-2,2-dimethylpropan-1-one;1-(1-tert-butyl-4-naphthalen-2-yloxypyrrolidin-2-yl)-2,2-dimethylpropan-1-one;1-(1-tert-butyl-4-phenoxypyrrolidin-2-yl)-2,2-dimethylpropan-1-one;1-(1-tert-butyl-5-phenylpyrrolidin-2-yl)-2,2-dimethylpropan-1-one;1-(1-tert-butyl-4-quinazolin-4-yloxypyrrolidin-2-yl)-2,2-dimethylpropan-1-one has a molecular weight of 2217.64 g/mol, XLogP of 29.77, 18 rotatable bonds, 0 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-tert-butyl-4-[(5-chloro-2-pyridinyl)oxy]pyrrolidin-2-yl]-2,2-dimethylpropan-1-one;1-(1-tert-butyl-5-methylpyrrolidin-2-yl)-2,2-dimethylpropan-1-one;1-(1-tert-butyl-4-naphthalen-1-yloxypyrrolidin-2-yl)-2,2-dimethylpropan-1-one;1-(1-tert-butyl-4-naphthalen-2-yloxypyrrolidin-2-yl)-2,2-dimethylpropan-1-one;1-(1-tert-butyl-4-phenoxypyrrolidin-2-yl)-2,2-dimethylpropan-1-one;1-(1-tert-butyl-5-phenylpyrrolidin-2-yl)-2,2-dimethylpropan-1-one;1-(1-tert-butyl-4-quinazolin-4-yloxypyrrolidin-2-yl)-2,2-dimethylpropan-1-one is sourced from PubChem (CID 158604428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).