1-(1-tert-butyl-5-cyclohexylpyrrolidin-2-yl)-2,2-dimethylpropan-1-one;1-(1-tert-butyl-3,4-dimethylpyrrolidin-2-yl)-2,2-dimethylpropan-1-one;1-(1-tert-butyl-3-ethyl-4-methylpyrrolidin-2-yl)-2,2-dimethylpropan-1-one;1-(1-tert-butyl-4-ethyl-3-methylpyrrolidin-2-yl)-2,2-dimethylpropan-1-one;1-[1-tert-butyl-4-[(5-methyl-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-5-phenylpyrrolidin-2-yl)-2,2-dimethylpropan-1-one;1-(1-tert-butyl-4-quinazolin-4-yloxypyrrolidin-2-yl)-2,2-dimethylpropan-1-one

C139H241N11O10 — CID 162187302

IUPAC1-(1-tert-butyl-5-cyclohexylpyrrolidin-2-yl)-2,2-dimethylpropan-1-one;1-(1-tert-butyl-3,4-dimethylpyrrolidin-2-yl)-2,2-dimethylpropan-1-one;1-(1-tert-butyl-3-ethyl-4-methylpyrrolidin-2-yl)-2,2-dimethylpropan-1-one;1-(1-tert-butyl-4-ethyl-3-methylpyrrolidin-2-yl)-2,2-dimethylpropan-1-one;1-[1-tert-butyl-4-[(5-methyl-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-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(Oc2ncnc3ccccc23)CN1C(C)(C)C.CC(C)(C)C(=O)C1CCC(C2CCCCC2)N1C(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.CC1CN(C(C)(C)C)C(C(=O)C(C)(C)C)C1C.CCC1C(C)CN(C(C)(C)C)C1C(=O)C(C)(C)C.CCC1CN(C(C)(C)C)C(C(=O)C(C)(C)C)C1C.Cc1ccc(OC2CC(C(=O)C(C)(C)C)N(C(C)(C)C)C2)nc1
InChIInChI=1S/C21H29N3O2.C19H30N2O2.C19H35NO.C19H29NO.2C16H31NO.C15H29NO.C14H27NO/c1-20(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;1-13-8-9-16(20-11-13)23-14-10-15(17(22)18(2,3)4)21(12-14)19(5,6)7;2*1-18(2,3)17(21)16-13-12-15(20(16)19(4,5)6)14-10-8-7-9-11-14;1-9-12-10-17(16(6,7)8)13(11(12)2)14(18)15(3,4)5;1-9-12-11(2)10-17(16(6,7)8)13(12)14(18)15(3,4)5;1-10-9-16(15(6,7)8)12(11(10)2)13(17)14(3,4)5;1-10-8-9-11(12(16)13(2,3)4)15(10)14(5,6)7/h7-10,13-14,17H,11-12H2,1-6H3;8-9,11,14-15H,10,12H2,1-7H3;14-16H,7-13H2,1-6H3;7-11,15-16H,12-13H2,1-6H3;2*11-13H,9-10H2,1-8H3;10-12H,9H2,1-8H3;10-11H,8-9H2,1-7H3
InChIKeyZPVCZELAPMPPDI-UHFFFAOYSA-N
MW2226.52 g/mol
LogP31.01
Rot. Bonds16

About 1-(1-tert-butyl-5-cyclohexylpyrrolidin-2-yl)-2,2-dimethylpropan-1-one;1-(1-tert-butyl-3,4-dimethylpyrrolidin-2-yl)-2,2-dimethylpropan-1-one;1-(1-tert-butyl-3-ethyl-4-methylpyrrolidin-2-yl)-2,2-dimethylpropan-1-one;1-(1-tert-butyl-4-ethyl-3-methylpyrrolidin-2-yl)-2,2-dimethylpropan-1-one;1-[1-tert-butyl-4-[(5-methyl-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-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-5-cyclohexylpyrrolidin-2-yl)-2,2-dimethylpropan-1-one;1-(1-tert-butyl-3,4-dimethylpyrrolidin-2-yl)-2,2-dimethylpropan-1-one;1-(1-tert-butyl-3-ethyl-4-methylpyrrolidin-2-yl)-2,2-dimethylpropan-1-one;1-(1-tert-butyl-4-ethyl-3-methylpyrrolidin-2-yl)-2,2-dimethylpropan-1-one;1-[1-tert-butyl-4-[(5-methyl-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-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 162187302) has the molecular formula C139H241N11O10 and a molecular weight of 2226.52 g/mol. Its IUPAC name is 1-(1-tert-butyl-5-cyclohexylpyrrolidin-2-yl)-2,2-dimethylpropan-1-one;1-(1-tert-butyl-3,4-dimethylpyrrolidin-2-yl)-2,2-dimethylpropan-1-one;1-(1-tert-butyl-3-ethyl-4-methylpyrrolidin-2-yl)-2,2-dimethylpropan-1-one;1-(1-tert-butyl-4-ethyl-3-methylpyrrolidin-2-yl)-2,2-dimethylpropan-1-one;1-[1-tert-butyl-4-[(5-methyl-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-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-5-cyclohexylpyrrolidin-2-yl)-2,2-dimethylpropan-1-one;1-(1-tert-butyl-3,4-dimethylpyrrolidin-2-yl)-2,2-dimethylpropan-1-one;1-(1-tert-butyl-3-ethyl-4-methylpyrrolidin-2-yl)-2,2-dimethylpropan-1-one;1-(1-tert-butyl-4-ethyl-3-methylpyrrolidin-2-yl)-2,2-dimethylpropan-1-one;1-[1-tert-butyl-4-[(5-methyl-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-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 CID162187302
Molecular FormulaC139H241N11O10
Molecular Weight2226.52 g/mol
Exact Mass2224.87
IUPAC Name1-(1-tert-butyl-5-cyclohexylpyrrolidin-2-yl)-2,2-dimethylpropan-1-one;1-(1-tert-butyl-3,4-dimethylpyrrolidin-2-yl)-2,2-dimethylpropan-1-one;1-(1-tert-butyl-3-ethyl-4-methylpyrrolidin-2-yl)-2,2-dimethylpropan-1-one;1-(1-tert-butyl-4-ethyl-3-methylpyrrolidin-2-yl)-2,2-dimethylpropan-1-one;1-[1-tert-butyl-4-[(5-methyl-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-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(Oc2ncnc3ccccc23)CN1C(C)(C)C.CC(C)(C)C(=O)C1CCC(C2CCCCC2)N1C(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.CC1CN(C(C)(C)C)C(C(=O)C(C)(C)C)C1C.CCC1C(C)CN(C(C)(C)C)C1C(=O)C(C)(C)C.CCC1CN(C(C)(C)C)C(C(=O)C(C)(C)C)C1C.Cc1ccc(OC2CC(C(=O)C(C)(C)C)N(C(C)(C)C)C2)nc1
InChIInChI=1S/C21H29N3O2.C19H30N2O2.C19H35NO.C19H29NO.2C16H31NO.C15H29NO.C14H27NO/c1-20(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;1-13-8-9-16(20-11-13)23-14-10-15(17(22)18(2,3)4)21(12-14)19(5,6)7;2*1-18(2,3)17(21)16-13-12-15(20(16)19(4,5)6)14-10-8-7-9-11-14;1-9-12-10-17(16(6,7)8)13(11(12)2)14(18)15(3,4)5;1-9-12-11(2)10-17(16(6,7)8)13(12)14(18)15(3,4)5;1-10-9-16(15(6,7)8)12(11(10)2)13(17)14(3,4)5;1-10-8-9-11(12(16)13(2,3)4)15(10)14(5,6)7/h7-10,13-14,17H,11-12H2,1-6H3;8-9,11,14-15H,10,12H2,1-7H3;14-16H,7-13H2,1-6H3;7-11,15-16H,12-13H2,1-6H3;2*11-13H,9-10H2,1-8H3;10-12H,9H2,1-8H3;10-11H,8-9H2,1-7H3
InChIKeyZPVCZELAPMPPDI-UHFFFAOYSA-N
XLogP31.01
TPSA219.61 Ų
H-Bond Donors
H-Bond Acceptors21
Rotatable Bonds16
Heavy Atoms160
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002226.52
LogP ≤ 531.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1021

Analyze 1-(1-tert-butyl-5-cyclohexylpyrrolidin-2-yl)-2,2-dimethylpropan-1-one;1-(1-tert-butyl-3,4-dimethylpyrrolidin-2-yl)-2,2-dimethylpropan-1-one;1-(1-tert-butyl-3-ethyl-4-methylpyrrolidin-2-yl)-2,2-dimethylpropan-1-one;1-(1-tert-butyl-4-ethyl-3-methylpyrrolidin-2-yl)-2,2-dimethylpropan-1-one;1-[1-tert-butyl-4-[(5-methyl-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-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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Launch Full Analysis

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
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
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-[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-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
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
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-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 160712586
1-(1-tert-butyl-5-cyclohexylpyrrolidin-2-yl)-2,2-dimethylpropan-1-one;[1-tert-butyl-5-(2,2-dimethylpropanoyl)pyrrolidin-3-yl] 3,4-dihydro-1H-isoquinoline-2-carboxylate;1-(1-tert-butyl-3,4-dimethylpyrrolidin-2-yl)-2,2-dimethylpropan-1-one;1-(1-tert-butyl-4-ethyl-3-methylpyrrolidin-2-yl)-2,2-dimethylpropan-1-one;1-[1-tert-butyl-4-[(5-methyl-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;methane
CID 161173292
1-[1-Tert-butyl-4-[(5-chloro-2-pyridinyl)oxy]pyrrolidin-2-yl]-2,2-dimethylpropan-1-one;1-(1-tert-butyl-5-cyclohexylpyrrolidin-2-yl)-2,2-dimethylpropan-1-one;1-(1-tert-butyl-3,4-dimethylpyrrolidin-2-yl)-2,2-dimethylpropan-1-one;1-(1-tert-butyl-4-ethyl-3-methylpyrrolidin-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 161829345
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-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 161898314

Frequently Asked Questions

What is the IUPAC name of 1-(1-tert-butyl-5-cyclohexylpyrrolidin-2-yl)-2,2-dimethylpropan-1-one;1-(1-tert-butyl-3,4-dimethylpyrrolidin-2-yl)-2,2-dimethylpropan-1-one;1-(1-tert-butyl-3-ethyl-4-methylpyrrolidin-2-yl)-2,2-dimethylpropan-1-one;1-(1-tert-butyl-4-ethyl-3-methylpyrrolidin-2-yl)-2,2-dimethylpropan-1-one;1-[1-tert-butyl-4-[(5-methyl-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-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-5-cyclohexylpyrrolidin-2-yl)-2,2-dimethylpropan-1-one;1-(1-tert-butyl-3,4-dimethylpyrrolidin-2-yl)-2,2-dimethylpropan-1-one;1-(1-tert-butyl-3-ethyl-4-methylpyrrolidin-2-yl)-2,2-dimethylpropan-1-one;1-(1-tert-butyl-4-ethyl-3-methylpyrrolidin-2-yl)-2,2-dimethylpropan-1-one;1-[1-tert-butyl-4-[(5-methyl-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-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 162187302) is 1-(1-tert-butyl-5-cyclohexylpyrrolidin-2-yl)-2,2-dimethylpropan-1-one;1-(1-tert-butyl-3,4-dimethylpyrrolidin-2-yl)-2,2-dimethylpropan-1-one;1-(1-tert-butyl-3-ethyl-4-methylpyrrolidin-2-yl)-2,2-dimethylpropan-1-one;1-(1-tert-butyl-4-ethyl-3-methylpyrrolidin-2-yl)-2,2-dimethylpropan-1-one;1-[1-tert-butyl-4-[(5-methyl-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-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-5-cyclohexylpyrrolidin-2-yl)-2,2-dimethylpropan-1-one;1-(1-tert-butyl-3,4-dimethylpyrrolidin-2-yl)-2,2-dimethylpropan-1-one;1-(1-tert-butyl-3-ethyl-4-methylpyrrolidin-2-yl)-2,2-dimethylpropan-1-one;1-(1-tert-butyl-4-ethyl-3-methylpyrrolidin-2-yl)-2,2-dimethylpropan-1-one;1-[1-tert-butyl-4-[(5-methyl-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-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-5-cyclohexylpyrrolidin-2-yl)-2,2-dimethylpropan-1-one;1-(1-tert-butyl-3,4-dimethylpyrrolidin-2-yl)-2,2-dimethylpropan-1-one;1-(1-tert-butyl-3-ethyl-4-methylpyrrolidin-2-yl)-2,2-dimethylpropan-1-one;1-(1-tert-butyl-4-ethyl-3-methylpyrrolidin-2-yl)-2,2-dimethylpropan-1-one;1-[1-tert-butyl-4-[(5-methyl-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-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(Oc2ncnc3ccccc23)CN1C(C)(C)C.CC(C)(C)C(=O)C1CCC(C2CCCCC2)N1C(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.CC1CN(C(C)(C)C)C(C(=O)C(C)(C)C)C1C.CCC1C(C)CN(C(C)(C)C)C1C(=O)C(C)(C)C.CCC1CN(C(C)(C)C)C(C(=O)C(C)(C)C)C1C.Cc1ccc(OC2CC(C(=O)C(C)(C)C)N(C(C)(C)C)C2)nc1.
What is the InChIKey of 1-(1-tert-butyl-5-cyclohexylpyrrolidin-2-yl)-2,2-dimethylpropan-1-one;1-(1-tert-butyl-3,4-dimethylpyrrolidin-2-yl)-2,2-dimethylpropan-1-one;1-(1-tert-butyl-3-ethyl-4-methylpyrrolidin-2-yl)-2,2-dimethylpropan-1-one;1-(1-tert-butyl-4-ethyl-3-methylpyrrolidin-2-yl)-2,2-dimethylpropan-1-one;1-[1-tert-butyl-4-[(5-methyl-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-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 ZPVCZELAPMPPDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N3O2.C19H30N2O2.C19H35NO.C19H29NO.2C16H31NO.C15H29NO.C14H27NO/c1-20(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;1-13-8-9-16(20-11-13)23-14-10-15(17(22)18(2,3)4)21(12-14)19(5,6)7;2*1-18(2,3)17(21)16-13-12-15(20(16)19(4,5)6)14-10-8-7-9-11-14;1-9-12-10-17(16(6,7)8)13(11(12)2)14(18)15(3,4)5;1-9-12-11(2)10-17(16(6,7)8)13(12)14(18)15(3,4)5;1-10-9-16(15(6,7)8)12(11(10)2)13(17)14(3,4)5;1-10-8-9-11(12(16)13(2,3)4)15(10)14(5,6)7/h7-10,13-14,17H,11-12H2,1-6H3;8-9,11,14-15H,10,12H2,1-7H3;14-16H,7-13H2,1-6H3;7-11,15-16H,12-13H2,1-6H3;2*11-13H,9-10H2,1-8H3;10-12H,9H2,1-8H3;10-11H,8-9H2,1-7H3.
What are the key properties of 1-(1-tert-butyl-5-cyclohexylpyrrolidin-2-yl)-2,2-dimethylpropan-1-one;1-(1-tert-butyl-3,4-dimethylpyrrolidin-2-yl)-2,2-dimethylpropan-1-one;1-(1-tert-butyl-3-ethyl-4-methylpyrrolidin-2-yl)-2,2-dimethylpropan-1-one;1-(1-tert-butyl-4-ethyl-3-methylpyrrolidin-2-yl)-2,2-dimethylpropan-1-one;1-[1-tert-butyl-4-[(5-methyl-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-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-5-cyclohexylpyrrolidin-2-yl)-2,2-dimethylpropan-1-one;1-(1-tert-butyl-3,4-dimethylpyrrolidin-2-yl)-2,2-dimethylpropan-1-one;1-(1-tert-butyl-3-ethyl-4-methylpyrrolidin-2-yl)-2,2-dimethylpropan-1-one;1-(1-tert-butyl-4-ethyl-3-methylpyrrolidin-2-yl)-2,2-dimethylpropan-1-one;1-[1-tert-butyl-4-[(5-methyl-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-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 2226.52 g/mol, XLogP of 31.01, 16 rotatable bonds, 0 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-tert-butyl-5-cyclohexylpyrrolidin-2-yl)-2,2-dimethylpropan-1-one;1-(1-tert-butyl-3,4-dimethylpyrrolidin-2-yl)-2,2-dimethylpropan-1-one;1-(1-tert-butyl-3-ethyl-4-methylpyrrolidin-2-yl)-2,2-dimethylpropan-1-one;1-(1-tert-butyl-4-ethyl-3-methylpyrrolidin-2-yl)-2,2-dimethylpropan-1-one;1-[1-tert-butyl-4-[(5-methyl-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-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 162187302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).