1-tert-butyl-2,3-dihydropyridin-6-one;N-tert-butyl-2-fluorocyclohexene-1-carboxamide;N-tert-butyl-2-fluorocyclopentene-1-carboxamide;(Z)-N-tert-butyl-3-fluoro-2-methylbut-2-enamide;N-tert-butylprop-2-ynamide;1-(3-tert-butylpyrrolidin-1-yl)prop-2-en-1-one;1-(cyclobuten-1-yl)-4,4-dimethylpentan-1-one;1-(cyclohexen-1-yl)-4,4-dimethylpentan-1-one;1-(cyclopenten-1-yl)-4,4-dimethylpentan-1-one;(E)-6-(dimethylamino)-2,2-dimethylhex-4-en-3-one;(E)-4-(dimethylamino)-N-(2,2-dimethylpropyl)-N-ethylbut-2-enamide;(E)-4-(dimethylamino)-N-(2,2-dimethylpropyl)-N-methylbut-2-enamide;(E)-4-(dimethylamino)-N-(2,2-dimethylpropyl)-N-prop-2-enylbut-2-enamide;4,4-dimethylpent-1-yn-3-one;1-(2,2-dimethylpropanoyl)cyclopropane-1-carbonitrile;2,2-dimethylpropyl 1-acetylcyclopropane-1-carboxylate;2,2-dimethylpropyl prop-2-enoate;2,2-dimethylpropyl prop-2-ynoate;2,3,3-trimethylbutan-2-yl (E)-but-2-enoate;2,3,3-trimethylbutan-2-yl prop-2-enoate

C206H355F3N14O26 — CID 158120074

IUPAC1-tert-butyl-2,3-dihydropyridin-6-one;N-tert-butyl-2-fluorocyclohexene-1-carboxamide;N-tert-butyl-2-fluorocyclopentene-1-carboxamide;(Z)-N-tert-butyl-3-fluoro-2-methylbut-2-enamide;N-tert-butylprop-2-ynamide;1-(3-tert-butylpyrrolidin-1-yl)prop-2-en-1-one;1-(cyclobuten-1-yl)-4,4-dimethylpentan-1-one;1-(cyclohexen-1-yl)-4,4-dimethylpentan-1-one;1-(cyclopenten-1-yl)-4,4-dimethylpentan-1-one;(E)-6-(dimethylamino)-2,2-dimethylhex-4-en-3-one;(E)-4-(dimethylamino)-N-(2,2-dimethylpropyl)-N-ethylbut-2-enamide;(E)-4-(dimethylamino)-N-(2,2-dimethylpropyl)-N-methylbut-2-enamide;(E)-4-(dimethylamino)-N-(2,2-dimethylpropyl)-N-prop-2-enylbut-2-enamide;4,4-dimethylpent-1-yn-3-one;1-(2,2-dimethylpropanoyl)cyclopropane-1-carbonitrile;2,2-dimethylpropyl 1-acetylcyclopropane-1-carboxylate;2,2-dimethylpropyl prop-2-enoate;2,2-dimethylpropyl prop-2-ynoate;2,3,3-trimethylbutan-2-yl (E)-but-2-enoate;2,3,3-trimethylbutan-2-yl prop-2-enoate
SMILESC#CC(=O)C(C)(C)C.C#CC(=O)NC(C)(C)C.C#CC(=O)OCC(C)(C)C.C/C(F)=C(\C)C(=O)NC(C)(C)C.C/C=C/C(=O)OC(C)(C)C(C)(C)C.C=CC(=O)N1CCC(C(C)(C)C)C1.C=CC(=O)OC(C)(C)C(C)(C)C.C=CC(=O)OCC(C)(C)C.C=CCN(CC(C)(C)C)C(=O)/C=C/CN(C)C.CC(=O)C1(C(=O)OCC(C)(C)C)CC1.CC(C)(C)C(=O)C1(C#N)CC1.CC(C)(C)CCC(=O)C1=CCC1.CC(C)(C)CCC(=O)C1=CCCC1.CC(C)(C)CCC(=O)C1=CCCCC1.CC(C)(C)N1CCC=CC1=O.CC(C)(C)NC(=O)C1=C(F)CCC1.CC(C)(C)NC(=O)C1=C(F)CCCC1.CCN(CC(C)(C)C)C(=O)/C=C/CN(C)C.CN(C)C/C=C/C(=O)C(C)(C)C.CN(C)C/C=C/C(=O)N(C)CC(C)(C)C
InChIInChI=1S/C14H26N2O.C13H26N2O.C13H22O.C12H24N2O.C12H20O.C11H18FNO.C11H19NO.C11H18O3.C11H20O2.C11H18O.C10H16FNO.C10H19NO.C10H18O2.C9H16FNO.C9H13NO.C9H15NO.C8H14O2.C8H12O2.C7H11NO.C7H10O/c1-7-10-16(12-14(2,3)4)13(17)9-8-11-15(5)6;1-7-15(11-13(2,3)4)12(16)9-8-10-14(5)6;1-13(2,3)10-9-12(14)11-7-5-4-6-8-11;1-12(2,3)10-14(6)11(15)8-7-9-13(4)5;1-12(2,3)9-8-11(13)10-6-4-5-7-10;1-11(2,3)13-10(14)8-6-4-5-7-9(8)12;1-5-10(13)12-7-6-9(8-12)11(2,3)4;1-8(12)11(5-6-11)9(13)14-7-10(2,3)4;1-7-8-9(12)13-11(5,6)10(2,3)4;1-11(2,3)8-7-10(12)9-5-4-6-9;1-10(2,3)12-9(13)7-5-4-6-8(7)11;1-10(2,3)9(12)7-6-8-11(4)5;1-7-8(11)12-10(5,6)9(2,3)4;1-6(7(2)10)8(12)11-9(3,4)5;1-8(2,3)7(11)9(6-10)4-5-9;1-9(2,3)10-7-5-4-6-8(10)11;2*1-5-7(9)10-6-8(2,3)4;1-5-6(9)8-7(2,3)4;1-5-6(8)7(2,3)4/h7-9H,1,10-12H2,2-6H3;8-9H,7,10-11H2,1-6H3;7H,4-6,8-10H2,1-3H3;7-8H,9-10H2,1-6H3;6H,4-5,7-9H2,1-3H3;4-7H2,1-3H3,(H,13,14);5,9H,1,6-8H2,2-4H3;5-7H2,1-4H3;7-8H,1-6H3;5H,4,6-8H2,1-3H3;4-6H2,1-3H3,(H,12,13);6-7H,8H2,1-5H3;7H,1H2,2-6H3;1-5H3,(H,11,12);4-5H2,1-3H3;4,6H,5,7H2,1-3H3;5H,1,6H2,2-4H3;1H,6H2,2-4H3;1H,2-4H3,(H,8,9);1H,2-4H3/b2*9-8+;;8-7+;;;;;8-7+;;;7-6+;;7-6-;;;;;;
InChIKeyFRMPGXBTVIQBNS-UIYZLOJJSA-N
MW3501.17 g/mol
LogP42.84
Rot. Bonds42

About 1-tert-butyl-2,3-dihydropyridin-6-one;N-tert-butyl-2-fluorocyclohexene-1-carboxamide;N-tert-butyl-2-fluorocyclopentene-1-carboxamide;(Z)-N-tert-butyl-3-fluoro-2-methylbut-2-enamide;N-tert-butylprop-2-ynamide;1-(3-tert-butylpyrrolidin-1-yl)prop-2-en-1-one;1-(cyclobuten-1-yl)-4,4-dimethylpentan-1-one;1-(cyclohexen-1-yl)-4,4-dimethylpentan-1-one;1-(cyclopenten-1-yl)-4,4-dimethylpentan-1-one;(E)-6-(dimethylamino)-2,2-dimethylhex-4-en-3-one;(E)-4-(dimethylamino)-N-(2,2-dimethylpropyl)-N-ethylbut-2-enamide;(E)-4-(dimethylamino)-N-(2,2-dimethylpropyl)-N-methylbut-2-enamide;(E)-4-(dimethylamino)-N-(2,2-dimethylpropyl)-N-prop-2-enylbut-2-enamide;4,4-dimethylpent-1-yn-3-one;1-(2,2-dimethylpropanoyl)cyclopropane-1-carbonitrile;2,2-dimethylpropyl 1-acetylcyclopropane-1-carboxylate;2,2-dimethylpropyl prop-2-enoate;2,2-dimethylpropyl prop-2-ynoate;2,3,3-trimethylbutan-2-yl (E)-but-2-enoate;2,3,3-trimethylbutan-2-yl prop-2-enoate

1-tert-butyl-2,3-dihydropyridin-6-one;N-tert-butyl-2-fluorocyclohexene-1-carboxamide;N-tert-butyl-2-fluorocyclopentene-1-carboxamide;(Z)-N-tert-butyl-3-fluoro-2-methylbut-2-enamide;N-tert-butylprop-2-ynamide;1-(3-tert-butylpyrrolidin-1-yl)prop-2-en-1-one;1-(cyclobuten-1-yl)-4,4-dimethylpentan-1-one;1-(cyclohexen-1-yl)-4,4-dimethylpentan-1-one;1-(cyclopenten-1-yl)-4,4-dimethylpentan-1-one;(E)-6-(dimethylamino)-2,2-dimethylhex-4-en-3-one;(E)-4-(dimethylamino)-N-(2,2-dimethylpropyl)-N-ethylbut-2-enamide;(E)-4-(dimethylamino)-N-(2,2-dimethylpropyl)-N-methylbut-2-enamide;(E)-4-(dimethylamino)-N-(2,2-dimethylpropyl)-N-prop-2-enylbut-2-enamide;4,4-dimethylpent-1-yn-3-one;1-(2,2-dimethylpropanoyl)cyclopropane-1-carbonitrile;2,2-dimethylpropyl 1-acetylcyclopropane-1-carboxylate;2,2-dimethylpropyl prop-2-enoate;2,2-dimethylpropyl prop-2-ynoate;2,3,3-trimethylbutan-2-yl (E)-but-2-enoate;2,3,3-trimethylbutan-2-yl prop-2-enoate (PubChem CID 158120074) has the molecular formula C206H355F3N14O26 and a molecular weight of 3501.17 g/mol. Its IUPAC name is 1-tert-butyl-2,3-dihydropyridin-6-one;N-tert-butyl-2-fluorocyclohexene-1-carboxamide;N-tert-butyl-2-fluorocyclopentene-1-carboxamide;(Z)-N-tert-butyl-3-fluoro-2-methylbut-2-enamide;N-tert-butylprop-2-ynamide;1-(3-tert-butylpyrrolidin-1-yl)prop-2-en-1-one;1-(cyclobuten-1-yl)-4,4-dimethylpentan-1-one;1-(cyclohexen-1-yl)-4,4-dimethylpentan-1-one;1-(cyclopenten-1-yl)-4,4-dimethylpentan-1-one;(E)-6-(dimethylamino)-2,2-dimethylhex-4-en-3-one;(E)-4-(dimethylamino)-N-(2,2-dimethylpropyl)-N-ethylbut-2-enamide;(E)-4-(dimethylamino)-N-(2,2-dimethylpropyl)-N-methylbut-2-enamide;(E)-4-(dimethylamino)-N-(2,2-dimethylpropyl)-N-prop-2-enylbut-2-enamide;4,4-dimethylpent-1-yn-3-one;1-(2,2-dimethylpropanoyl)cyclopropane-1-carbonitrile;2,2-dimethylpropyl 1-acetylcyclopropane-1-carboxylate;2,2-dimethylpropyl prop-2-enoate;2,2-dimethylpropyl prop-2-ynoate;2,3,3-trimethylbutan-2-yl (E)-but-2-enoate;2,3,3-trimethylbutan-2-yl prop-2-enoate.

Molecular Properties

Compound Name1-tert-butyl-2,3-dihydropyridin-6-one;N-tert-butyl-2-fluorocyclohexene-1-carboxamide;N-tert-butyl-2-fluorocyclopentene-1-carboxamide;(Z)-N-tert-butyl-3-fluoro-2-methylbut-2-enamide;N-tert-butylprop-2-ynamide;1-(3-tert-butylpyrrolidin-1-yl)prop-2-en-1-one;1-(cyclobuten-1-yl)-4,4-dimethylpentan-1-one;1-(cyclohexen-1-yl)-4,4-dimethylpentan-1-one;1-(cyclopenten-1-yl)-4,4-dimethylpentan-1-one;(E)-6-(dimethylamino)-2,2-dimethylhex-4-en-3-one;(E)-4-(dimethylamino)-N-(2,2-dimethylpropyl)-N-ethylbut-2-enamide;(E)-4-(dimethylamino)-N-(2,2-dimethylpropyl)-N-methylbut-2-enamide;(E)-4-(dimethylamino)-N-(2,2-dimethylpropyl)-N-prop-2-enylbut-2-enamide;4,4-dimethylpent-1-yn-3-one;1-(2,2-dimethylpropanoyl)cyclopropane-1-carbonitrile;2,2-dimethylpropyl 1-acetylcyclopropane-1-carboxylate;2,2-dimethylpropyl prop-2-enoate;2,2-dimethylpropyl prop-2-ynoate;2,3,3-trimethylbutan-2-yl (E)-but-2-enoate;2,3,3-trimethylbutan-2-yl prop-2-enoate
PubChem CID158120074
Molecular FormulaC206H355F3N14O26
Molecular Weight3501.17 g/mol
Exact Mass3498.68
IUPAC Name1-tert-butyl-2,3-dihydropyridin-6-one;N-tert-butyl-2-fluorocyclohexene-1-carboxamide;N-tert-butyl-2-fluorocyclopentene-1-carboxamide;(Z)-N-tert-butyl-3-fluoro-2-methylbut-2-enamide;N-tert-butylprop-2-ynamide;1-(3-tert-butylpyrrolidin-1-yl)prop-2-en-1-one;1-(cyclobuten-1-yl)-4,4-dimethylpentan-1-one;1-(cyclohexen-1-yl)-4,4-dimethylpentan-1-one;1-(cyclopenten-1-yl)-4,4-dimethylpentan-1-one;(E)-6-(dimethylamino)-2,2-dimethylhex-4-en-3-one;(E)-4-(dimethylamino)-N-(2,2-dimethylpropyl)-N-ethylbut-2-enamide;(E)-4-(dimethylamino)-N-(2,2-dimethylpropyl)-N-methylbut-2-enamide;(E)-4-(dimethylamino)-N-(2,2-dimethylpropyl)-N-prop-2-enylbut-2-enamide;4,4-dimethylpent-1-yn-3-one;1-(2,2-dimethylpropanoyl)cyclopropane-1-carbonitrile;2,2-dimethylpropyl 1-acetylcyclopropane-1-carboxylate;2,2-dimethylpropyl prop-2-enoate;2,2-dimethylpropyl prop-2-ynoate;2,3,3-trimethylbutan-2-yl (E)-but-2-enoate;2,3,3-trimethylbutan-2-yl prop-2-enoate
SMILESC#CC(=O)C(C)(C)C.C#CC(=O)NC(C)(C)C.C#CC(=O)OCC(C)(C)C.C/C(F)=C(\C)C(=O)NC(C)(C)C.C/C=C/C(=O)OC(C)(C)C(C)(C)C.C=CC(=O)N1CCC(C(C)(C)C)C1.C=CC(=O)OC(C)(C)C(C)(C)C.C=CC(=O)OCC(C)(C)C.C=CCN(CC(C)(C)C)C(=O)/C=C/CN(C)C.CC(=O)C1(C(=O)OCC(C)(C)C)CC1.CC(C)(C)C(=O)C1(C#N)CC1.CC(C)(C)CCC(=O)C1=CCC1.CC(C)(C)CCC(=O)C1=CCCC1.CC(C)(C)CCC(=O)C1=CCCCC1.CC(C)(C)N1CCC=CC1=O.CC(C)(C)NC(=O)C1=C(F)CCC1.CC(C)(C)NC(=O)C1=C(F)CCCC1.CCN(CC(C)(C)C)C(=O)/C=C/CN(C)C.CN(C)C/C=C/C(=O)C(C)(C)C.CN(C)C/C=C/C(=O)N(C)CC(C)(C)C
InChIInChI=1S/C14H26N2O.C13H26N2O.C13H22O.C12H24N2O.C12H20O.C11H18FNO.C11H19NO.C11H18O3.C11H20O2.C11H18O.C10H16FNO.C10H19NO.C10H18O2.C9H16FNO.C9H13NO.C9H15NO.C8H14O2.C8H12O2.C7H11NO.C7H10O/c1-7-10-16(12-14(2,3)4)13(17)9-8-11-15(5)6;1-7-15(11-13(2,3)4)12(16)9-8-10-14(5)6;1-13(2,3)10-9-12(14)11-7-5-4-6-8-11;1-12(2,3)10-14(6)11(15)8-7-9-13(4)5;1-12(2,3)9-8-11(13)10-6-4-5-7-10;1-11(2,3)13-10(14)8-6-4-5-7-9(8)12;1-5-10(13)12-7-6-9(8-12)11(2,3)4;1-8(12)11(5-6-11)9(13)14-7-10(2,3)4;1-7-8-9(12)13-11(5,6)10(2,3)4;1-11(2,3)8-7-10(12)9-5-4-6-9;1-10(2,3)12-9(13)7-5-4-6-8(7)11;1-10(2,3)9(12)7-6-8-11(4)5;1-7-8(11)12-10(5,6)9(2,3)4;1-6(7(2)10)8(12)11-9(3,4)5;1-8(2,3)7(11)9(6-10)4-5-9;1-9(2,3)10-7-5-4-6-8(10)11;2*1-5-7(9)10-6-8(2,3)4;1-5-6(9)8-7(2,3)4;1-5-6(8)7(2,3)4/h7-9H,1,10-12H2,2-6H3;8-9H,7,10-11H2,1-6H3;7H,4-6,8-10H2,1-3H3;7-8H,9-10H2,1-6H3;6H,4-5,7-9H2,1-3H3;4-7H2,1-3H3,(H,13,14);5,9H,1,6-8H2,2-4H3;5-7H2,1-4H3;7-8H,1-6H3;5H,4,6-8H2,1-3H3;4-6H2,1-3H3,(H,12,13);6-7H,8H2,1-5H3;7H,1H2,2-6H3;1-5H3,(H,11,12);4-5H2,1-3H3;4,6H,5,7H2,1-3H3;5H,1,6H2,2-4H3;1H,6H2,2-4H3;1H,2-4H3,(H,8,9);1H,2-4H3/b2*9-8+;;8-7+;;;;;8-7+;;;7-6+;;7-6-;;;;;;
InChIKeyFRMPGXBTVIQBNS-UIYZLOJJSA-N
XLogP42.84
TPSA505.69 Ų
H-Bond Donors4
H-Bond Acceptors31
Rotatable Bonds42
Heavy Atoms249
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003501.17
LogP ≤ 542.84
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1031

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_2', 'substructure': 'N/A'}

Analyze 1-tert-butyl-2,3-dihydropyridin-6-one;N-tert-butyl-2-fluorocyclohexene-1-carboxamide;N-tert-butyl-2-fluorocyclopentene-1-carboxamide;(Z)-N-tert-butyl-3-fluoro-2-methylbut-2-enamide;N-tert-butylprop-2-ynamide;1-(3-tert-butylpyrrolidin-1-yl)prop-2-en-1-one;1-(cyclobuten-1-yl)-4,4-dimethylpentan-1-one;1-(cyclohexen-1-yl)-4,4-dimethylpentan-1-one;1-(cyclopenten-1-yl)-4,4-dimethylpentan-1-one;(E)-6-(dimethylamino)-2,2-dimethylhex-4-en-3-one;(E)-4-(dimethylamino)-N-(2,2-dimethylpropyl)-N-ethylbut-2-enamide;(E)-4-(dimethylamino)-N-(2,2-dimethylpropyl)-N-methylbut-2-enamide;(E)-4-(dimethylamino)-N-(2,2-dimethylpropyl)-N-prop-2-enylbut-2-enamide;4,4-dimethylpent-1-yn-3-one;1-(2,2-dimethylpropanoyl)cyclopropane-1-carbonitrile;2,2-dimethylpropyl 1-acetylcyclopropane-1-carboxylate;2,2-dimethylpropyl prop-2-enoate;2,2-dimethylpropyl prop-2-ynoate;2,3,3-trimethylbutan-2-yl (E)-but-2-enoate;2,3,3-trimethylbutan-2-yl prop-2-enoate with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-2,3-dihydropyridin-6-one;N-tert-butyl-2-fluorocyclohexene-1-carboxamide;N-tert-butyl-2-fluorocyclopentene-1-carboxamide;(Z)-N-tert-butyl-3-fluoro-2-methylbut-2-enamide;N-tert-butylprop-2-ynamide;1-(3-tert-butylpyrrolidin-1-yl)prop-2-en-1-one;1-(cyclobuten-1-yl)-4,4-dimethylpentan-1-one;1-(cyclohexen-1-yl)-4,4-dimethylpentan-1-one;1-(cyclopenten-1-yl)-4,4-dimethylpentan-1-one;(E)-6-(dimethylamino)-2,2-dimethylhex-4-en-3-one;(E)-4-(dimethylamino)-N-(2,2-dimethylpropyl)-N-ethylbut-2-enamide;(E)-4-(dimethylamino)-N-(2,2-dimethylpropyl)-N-methylbut-2-enamide;(E)-4-(dimethylamino)-N-(2,2-dimethylpropyl)-N-prop-2-enylbut-2-enamide;4,4-dimethylpent-1-yn-3-one;1-(2,2-dimethylpropanoyl)cyclopropane-1-carbonitrile;2,2-dimethylpropyl 1-acetylcyclopropane-1-carboxylate;2,2-dimethylpropyl prop-2-enoate;2,2-dimethylpropyl prop-2-ynoate;2,3,3-trimethylbutan-2-yl (E)-but-2-enoate;2,3,3-trimethylbutan-2-yl prop-2-enoate?
The IUPAC name of 1-tert-butyl-2,3-dihydropyridin-6-one;N-tert-butyl-2-fluorocyclohexene-1-carboxamide;N-tert-butyl-2-fluorocyclopentene-1-carboxamide;(Z)-N-tert-butyl-3-fluoro-2-methylbut-2-enamide;N-tert-butylprop-2-ynamide;1-(3-tert-butylpyrrolidin-1-yl)prop-2-en-1-one;1-(cyclobuten-1-yl)-4,4-dimethylpentan-1-one;1-(cyclohexen-1-yl)-4,4-dimethylpentan-1-one;1-(cyclopenten-1-yl)-4,4-dimethylpentan-1-one;(E)-6-(dimethylamino)-2,2-dimethylhex-4-en-3-one;(E)-4-(dimethylamino)-N-(2,2-dimethylpropyl)-N-ethylbut-2-enamide;(E)-4-(dimethylamino)-N-(2,2-dimethylpropyl)-N-methylbut-2-enamide;(E)-4-(dimethylamino)-N-(2,2-dimethylpropyl)-N-prop-2-enylbut-2-enamide;4,4-dimethylpent-1-yn-3-one;1-(2,2-dimethylpropanoyl)cyclopropane-1-carbonitrile;2,2-dimethylpropyl 1-acetylcyclopropane-1-carboxylate;2,2-dimethylpropyl prop-2-enoate;2,2-dimethylpropyl prop-2-ynoate;2,3,3-trimethylbutan-2-yl (E)-but-2-enoate;2,3,3-trimethylbutan-2-yl prop-2-enoate (CID 158120074) is 1-tert-butyl-2,3-dihydropyridin-6-one;N-tert-butyl-2-fluorocyclohexene-1-carboxamide;N-tert-butyl-2-fluorocyclopentene-1-carboxamide;(Z)-N-tert-butyl-3-fluoro-2-methylbut-2-enamide;N-tert-butylprop-2-ynamide;1-(3-tert-butylpyrrolidin-1-yl)prop-2-en-1-one;1-(cyclobuten-1-yl)-4,4-dimethylpentan-1-one;1-(cyclohexen-1-yl)-4,4-dimethylpentan-1-one;1-(cyclopenten-1-yl)-4,4-dimethylpentan-1-one;(E)-6-(dimethylamino)-2,2-dimethylhex-4-en-3-one;(E)-4-(dimethylamino)-N-(2,2-dimethylpropyl)-N-ethylbut-2-enamide;(E)-4-(dimethylamino)-N-(2,2-dimethylpropyl)-N-methylbut-2-enamide;(E)-4-(dimethylamino)-N-(2,2-dimethylpropyl)-N-prop-2-enylbut-2-enamide;4,4-dimethylpent-1-yn-3-one;1-(2,2-dimethylpropanoyl)cyclopropane-1-carbonitrile;2,2-dimethylpropyl 1-acetylcyclopropane-1-carboxylate;2,2-dimethylpropyl prop-2-enoate;2,2-dimethylpropyl prop-2-ynoate;2,3,3-trimethylbutan-2-yl (E)-but-2-enoate;2,3,3-trimethylbutan-2-yl prop-2-enoate.
What is the SMILES notation for 1-tert-butyl-2,3-dihydropyridin-6-one;N-tert-butyl-2-fluorocyclohexene-1-carboxamide;N-tert-butyl-2-fluorocyclopentene-1-carboxamide;(Z)-N-tert-butyl-3-fluoro-2-methylbut-2-enamide;N-tert-butylprop-2-ynamide;1-(3-tert-butylpyrrolidin-1-yl)prop-2-en-1-one;1-(cyclobuten-1-yl)-4,4-dimethylpentan-1-one;1-(cyclohexen-1-yl)-4,4-dimethylpentan-1-one;1-(cyclopenten-1-yl)-4,4-dimethylpentan-1-one;(E)-6-(dimethylamino)-2,2-dimethylhex-4-en-3-one;(E)-4-(dimethylamino)-N-(2,2-dimethylpropyl)-N-ethylbut-2-enamide;(E)-4-(dimethylamino)-N-(2,2-dimethylpropyl)-N-methylbut-2-enamide;(E)-4-(dimethylamino)-N-(2,2-dimethylpropyl)-N-prop-2-enylbut-2-enamide;4,4-dimethylpent-1-yn-3-one;1-(2,2-dimethylpropanoyl)cyclopropane-1-carbonitrile;2,2-dimethylpropyl 1-acetylcyclopropane-1-carboxylate;2,2-dimethylpropyl prop-2-enoate;2,2-dimethylpropyl prop-2-ynoate;2,3,3-trimethylbutan-2-yl (E)-but-2-enoate;2,3,3-trimethylbutan-2-yl prop-2-enoate?
The canonical SMILES for 1-tert-butyl-2,3-dihydropyridin-6-one;N-tert-butyl-2-fluorocyclohexene-1-carboxamide;N-tert-butyl-2-fluorocyclopentene-1-carboxamide;(Z)-N-tert-butyl-3-fluoro-2-methylbut-2-enamide;N-tert-butylprop-2-ynamide;1-(3-tert-butylpyrrolidin-1-yl)prop-2-en-1-one;1-(cyclobuten-1-yl)-4,4-dimethylpentan-1-one;1-(cyclohexen-1-yl)-4,4-dimethylpentan-1-one;1-(cyclopenten-1-yl)-4,4-dimethylpentan-1-one;(E)-6-(dimethylamino)-2,2-dimethylhex-4-en-3-one;(E)-4-(dimethylamino)-N-(2,2-dimethylpropyl)-N-ethylbut-2-enamide;(E)-4-(dimethylamino)-N-(2,2-dimethylpropyl)-N-methylbut-2-enamide;(E)-4-(dimethylamino)-N-(2,2-dimethylpropyl)-N-prop-2-enylbut-2-enamide;4,4-dimethylpent-1-yn-3-one;1-(2,2-dimethylpropanoyl)cyclopropane-1-carbonitrile;2,2-dimethylpropyl 1-acetylcyclopropane-1-carboxylate;2,2-dimethylpropyl prop-2-enoate;2,2-dimethylpropyl prop-2-ynoate;2,3,3-trimethylbutan-2-yl (E)-but-2-enoate;2,3,3-trimethylbutan-2-yl prop-2-enoate is C#CC(=O)C(C)(C)C.C#CC(=O)NC(C)(C)C.C#CC(=O)OCC(C)(C)C.C/C(F)=C(\C)C(=O)NC(C)(C)C.C/C=C/C(=O)OC(C)(C)C(C)(C)C.C=CC(=O)N1CCC(C(C)(C)C)C1.C=CC(=O)OC(C)(C)C(C)(C)C.C=CC(=O)OCC(C)(C)C.C=CCN(CC(C)(C)C)C(=O)/C=C/CN(C)C.CC(=O)C1(C(=O)OCC(C)(C)C)CC1.CC(C)(C)C(=O)C1(C#N)CC1.CC(C)(C)CCC(=O)C1=CCC1.CC(C)(C)CCC(=O)C1=CCCC1.CC(C)(C)CCC(=O)C1=CCCCC1.CC(C)(C)N1CCC=CC1=O.CC(C)(C)NC(=O)C1=C(F)CCC1.CC(C)(C)NC(=O)C1=C(F)CCCC1.CCN(CC(C)(C)C)C(=O)/C=C/CN(C)C.CN(C)C/C=C/C(=O)C(C)(C)C.CN(C)C/C=C/C(=O)N(C)CC(C)(C)C.
What is the InChIKey of 1-tert-butyl-2,3-dihydropyridin-6-one;N-tert-butyl-2-fluorocyclohexene-1-carboxamide;N-tert-butyl-2-fluorocyclopentene-1-carboxamide;(Z)-N-tert-butyl-3-fluoro-2-methylbut-2-enamide;N-tert-butylprop-2-ynamide;1-(3-tert-butylpyrrolidin-1-yl)prop-2-en-1-one;1-(cyclobuten-1-yl)-4,4-dimethylpentan-1-one;1-(cyclohexen-1-yl)-4,4-dimethylpentan-1-one;1-(cyclopenten-1-yl)-4,4-dimethylpentan-1-one;(E)-6-(dimethylamino)-2,2-dimethylhex-4-en-3-one;(E)-4-(dimethylamino)-N-(2,2-dimethylpropyl)-N-ethylbut-2-enamide;(E)-4-(dimethylamino)-N-(2,2-dimethylpropyl)-N-methylbut-2-enamide;(E)-4-(dimethylamino)-N-(2,2-dimethylpropyl)-N-prop-2-enylbut-2-enamide;4,4-dimethylpent-1-yn-3-one;1-(2,2-dimethylpropanoyl)cyclopropane-1-carbonitrile;2,2-dimethylpropyl 1-acetylcyclopropane-1-carboxylate;2,2-dimethylpropyl prop-2-enoate;2,2-dimethylpropyl prop-2-ynoate;2,3,3-trimethylbutan-2-yl (E)-but-2-enoate;2,3,3-trimethylbutan-2-yl prop-2-enoate?
The InChIKey is FRMPGXBTVIQBNS-UIYZLOJJSA-N. The full InChI is InChI=1S/C14H26N2O.C13H26N2O.C13H22O.C12H24N2O.C12H20O.C11H18FNO.C11H19NO.C11H18O3.C11H20O2.C11H18O.C10H16FNO.C10H19NO.C10H18O2.C9H16FNO.C9H13NO.C9H15NO.C8H14O2.C8H12O2.C7H11NO.C7H10O/c1-7-10-16(12-14(2,3)4)13(17)9-8-11-15(5)6;1-7-15(11-13(2,3)4)12(16)9-8-10-14(5)6;1-13(2,3)10-9-12(14)11-7-5-4-6-8-11;1-12(2,3)10-14(6)11(15)8-7-9-13(4)5;1-12(2,3)9-8-11(13)10-6-4-5-7-10;1-11(2,3)13-10(14)8-6-4-5-7-9(8)12;1-5-10(13)12-7-6-9(8-12)11(2,3)4;1-8(12)11(5-6-11)9(13)14-7-10(2,3)4;1-7-8-9(12)13-11(5,6)10(2,3)4;1-11(2,3)8-7-10(12)9-5-4-6-9;1-10(2,3)12-9(13)7-5-4-6-8(7)11;1-10(2,3)9(12)7-6-8-11(4)5;1-7-8(11)12-10(5,6)9(2,3)4;1-6(7(2)10)8(12)11-9(3,4)5;1-8(2,3)7(11)9(6-10)4-5-9;1-9(2,3)10-7-5-4-6-8(10)11;2*1-5-7(9)10-6-8(2,3)4;1-5-6(9)8-7(2,3)4;1-5-6(8)7(2,3)4/h7-9H,1,10-12H2,2-6H3;8-9H,7,10-11H2,1-6H3;7H,4-6,8-10H2,1-3H3;7-8H,9-10H2,1-6H3;6H,4-5,7-9H2,1-3H3;4-7H2,1-3H3,(H,13,14);5,9H,1,6-8H2,2-4H3;5-7H2,1-4H3;7-8H,1-6H3;5H,4,6-8H2,1-3H3;4-6H2,1-3H3,(H,12,13);6-7H,8H2,1-5H3;7H,1H2,2-6H3;1-5H3,(H,11,12);4-5H2,1-3H3;4,6H,5,7H2,1-3H3;5H,1,6H2,2-4H3;1H,6H2,2-4H3;1H,2-4H3,(H,8,9);1H,2-4H3/b2*9-8+;;8-7+;;;;;8-7+;;;7-6+;;7-6-;;;;;;.
What are the key properties of 1-tert-butyl-2,3-dihydropyridin-6-one;N-tert-butyl-2-fluorocyclohexene-1-carboxamide;N-tert-butyl-2-fluorocyclopentene-1-carboxamide;(Z)-N-tert-butyl-3-fluoro-2-methylbut-2-enamide;N-tert-butylprop-2-ynamide;1-(3-tert-butylpyrrolidin-1-yl)prop-2-en-1-one;1-(cyclobuten-1-yl)-4,4-dimethylpentan-1-one;1-(cyclohexen-1-yl)-4,4-dimethylpentan-1-one;1-(cyclopenten-1-yl)-4,4-dimethylpentan-1-one;(E)-6-(dimethylamino)-2,2-dimethylhex-4-en-3-one;(E)-4-(dimethylamino)-N-(2,2-dimethylpropyl)-N-ethylbut-2-enamide;(E)-4-(dimethylamino)-N-(2,2-dimethylpropyl)-N-methylbut-2-enamide;(E)-4-(dimethylamino)-N-(2,2-dimethylpropyl)-N-prop-2-enylbut-2-enamide;4,4-dimethylpent-1-yn-3-one;1-(2,2-dimethylpropanoyl)cyclopropane-1-carbonitrile;2,2-dimethylpropyl 1-acetylcyclopropane-1-carboxylate;2,2-dimethylpropyl prop-2-enoate;2,2-dimethylpropyl prop-2-ynoate;2,3,3-trimethylbutan-2-yl (E)-but-2-enoate;2,3,3-trimethylbutan-2-yl prop-2-enoate?
1-tert-butyl-2,3-dihydropyridin-6-one;N-tert-butyl-2-fluorocyclohexene-1-carboxamide;N-tert-butyl-2-fluorocyclopentene-1-carboxamide;(Z)-N-tert-butyl-3-fluoro-2-methylbut-2-enamide;N-tert-butylprop-2-ynamide;1-(3-tert-butylpyrrolidin-1-yl)prop-2-en-1-one;1-(cyclobuten-1-yl)-4,4-dimethylpentan-1-one;1-(cyclohexen-1-yl)-4,4-dimethylpentan-1-one;1-(cyclopenten-1-yl)-4,4-dimethylpentan-1-one;(E)-6-(dimethylamino)-2,2-dimethylhex-4-en-3-one;(E)-4-(dimethylamino)-N-(2,2-dimethylpropyl)-N-ethylbut-2-enamide;(E)-4-(dimethylamino)-N-(2,2-dimethylpropyl)-N-methylbut-2-enamide;(E)-4-(dimethylamino)-N-(2,2-dimethylpropyl)-N-prop-2-enylbut-2-enamide;4,4-dimethylpent-1-yn-3-one;1-(2,2-dimethylpropanoyl)cyclopropane-1-carbonitrile;2,2-dimethylpropyl 1-acetylcyclopropane-1-carboxylate;2,2-dimethylpropyl prop-2-enoate;2,2-dimethylpropyl prop-2-ynoate;2,3,3-trimethylbutan-2-yl (E)-but-2-enoate;2,3,3-trimethylbutan-2-yl prop-2-enoate has a molecular weight of 3501.17 g/mol, XLogP of 42.84, 42 rotatable bonds, 4 hydrogen bond donors, and 31 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-2,3-dihydropyridin-6-one;N-tert-butyl-2-fluorocyclohexene-1-carboxamide;N-tert-butyl-2-fluorocyclopentene-1-carboxamide;(Z)-N-tert-butyl-3-fluoro-2-methylbut-2-enamide;N-tert-butylprop-2-ynamide;1-(3-tert-butylpyrrolidin-1-yl)prop-2-en-1-one;1-(cyclobuten-1-yl)-4,4-dimethylpentan-1-one;1-(cyclohexen-1-yl)-4,4-dimethylpentan-1-one;1-(cyclopenten-1-yl)-4,4-dimethylpentan-1-one;(E)-6-(dimethylamino)-2,2-dimethylhex-4-en-3-one;(E)-4-(dimethylamino)-N-(2,2-dimethylpropyl)-N-ethylbut-2-enamide;(E)-4-(dimethylamino)-N-(2,2-dimethylpropyl)-N-methylbut-2-enamide;(E)-4-(dimethylamino)-N-(2,2-dimethylpropyl)-N-prop-2-enylbut-2-enamide;4,4-dimethylpent-1-yn-3-one;1-(2,2-dimethylpropanoyl)cyclopropane-1-carbonitrile;2,2-dimethylpropyl 1-acetylcyclopropane-1-carboxylate;2,2-dimethylpropyl prop-2-enoate;2,2-dimethylpropyl prop-2-ynoate;2,3,3-trimethylbutan-2-yl (E)-but-2-enoate;2,3,3-trimethylbutan-2-yl prop-2-enoate is sourced from PubChem (CID 158120074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).