N-tert-butyl-2-fluorocyclohexene-1-carboxamide;N-tert-butyl-2-fluorocyclopentene-1-carboxamide;N-tert-butylprop-2-ynamide;1-(3-tert-butylpyrrolidin-1-yl)prop-2-en-1-one;(E)-4-(dimethylamino)-N-(2,2-dimethylpropyl)-N-ethylbut-2-enamide;(E)-4-(dimethylamino)-N-(2,2-dimethylpropyl)-N-methylbut-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

C107H181F2N9O15 — CID 157413909

About N-tert-butyl-2-fluorocyclohexene-1-carboxamide;N-tert-butyl-2-fluorocyclopentene-1-carboxamide;N-tert-butylprop-2-ynamide;1-(3-tert-butylpyrrolidin-1-yl)prop-2-en-1-one;(E)-4-(dimethylamino)-N-(2,2-dimethylpropyl)-N-ethylbut-2-enamide;(E)-4-(dimethylamino)-N-(2,2-dimethylpropyl)-N-methylbut-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

N-tert-butyl-2-fluorocyclohexene-1-carboxamide;N-tert-butyl-2-fluorocyclopentene-1-carboxamide;N-tert-butylprop-2-ynamide;1-(3-tert-butylpyrrolidin-1-yl)prop-2-en-1-one;(E)-4-(dimethylamino)-N-(2,2-dimethylpropyl)-N-ethylbut-2-enamide;(E)-4-(dimethylamino)-N-(2,2-dimethylpropyl)-N-methylbut-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 (PubChem CID 157413909) has the molecular formula C107H181F2N9O15 and a molecular weight of 1871.67 g/mol. Its IUPAC name is N-tert-butyl-2-fluorocyclohexene-1-carboxamide;N-tert-butyl-2-fluorocyclopentene-1-carboxamide;N-tert-butylprop-2-ynamide;1-(3-tert-butylpyrrolidin-1-yl)prop-2-en-1-one;(E)-4-(dimethylamino)-N-(2,2-dimethylpropyl)-N-ethylbut-2-enamide;(E)-4-(dimethylamino)-N-(2,2-dimethylpropyl)-N-methylbut-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.

Molecular Properties

• Compound Name: N-tert-butyl-2-fluorocyclohexene-1-carboxamide;N-tert-butyl-2-fluorocyclopentene-1-carboxamide;N-tert-butylprop-2-ynamide;1-(3-tert-butylpyrrolidin-1-yl)prop-2-en-1-one;(E)-4-(dimethylamino)-N-(2,2-dimethylpropyl)-N-ethylbut-2-enamide;(E)-4-(dimethylamino)-N-(2,2-dimethylpropyl)-N-methylbut-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
• PubChem CID: 157413909
• Molecular Formula: C107H181F2N9O15
• Molecular Weight: 1871.67 g/mol
• Exact Mass: 1870.36
• IUPAC Name: N-tert-butyl-2-fluorocyclohexene-1-carboxamide;N-tert-butyl-2-fluorocyclopentene-1-carboxamide;N-tert-butylprop-2-ynamide;1-(3-tert-butylpyrrolidin-1-yl)prop-2-en-1-one;(E)-4-(dimethylamino)-N-(2,2-dimethylpropyl)-N-ethylbut-2-enamide;(E)-4-(dimethylamino)-N-(2,2-dimethylpropyl)-N-methylbut-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
• SMILES: C#CC(=O)C(C)(C)C.C#CC(=O)NC(C)(C)C.C#CC(=O)OCC(C)(C)C.C=CC(=O)N1CCC(C(C)(C)C)C1.C=CC(=O)OCC(C)(C)C.CC(=O)C1(C(=O)OCC(C)(C)C)CC1.CC(C)(C)C(=O)C1(C#N)CC1.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)N(C)CC(C)(C)C
• InChI: InChI=1S/C13H26N2O.C12H24N2O.C11H18FNO.C11H19NO.C11H18O3.C10H16FNO.C9H13NO.C8H14O2.C8H12O2.C7H11NO.C7H10O/c1-7-15(11-13(2,3)4)12(16)9-8-10-14(5)6;1-12(2,3)10-14(6)11(15)8-7-9-13(4)5;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;1-10(2,3)12-9(13)7-5-4-6-8(7)11;1-8(2,3)7(11)9(6-10)4-5-9;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/h8-9H,7,10-11H2,1-6H3;7-8H,9-10H2,1-6H3;4-7H2,1-3H3,(H,13,14);5,9H,1,6-8H2,2-4H3;5-7H2,1-4H3;4-6H2,1-3H3,(H,12,13);4-5H2,1-3H3;5H,1,6H2,2-4H3;1H,6H2,2-4H3;1H,2-4H3,(H,8,9);1H,2-4H3/b9-8+;8-7+
• InChIKey: BOPOCOSDVWSKBC-USECEYFJSA-N
• XLogP: 19.27
• TPSA: 308.61 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 18
• Rotatable Bonds: 19
• Heavy Atoms: 133
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1871.67
LogP ≤ 5	19.27
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	18

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_2', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_5', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-fluorocyclohexene-1-carboxamide;N-tert-butyl-2-fluorocyclopentene-1-carboxamide;N-tert-butylprop-2-ynamide;1-(3-tert-butylpyrrolidin-1-yl)prop-2-en-1-one;(E)-4-(dimethylamino)-N-(2,2-dimethylpropyl)-N-ethylbut-2-enamide;(E)-4-(dimethylamino)-N-(2,2-dimethylpropyl)-N-methylbut-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?

The IUPAC name of N-tert-butyl-2-fluorocyclohexene-1-carboxamide;N-tert-butyl-2-fluorocyclopentene-1-carboxamide;N-tert-butylprop-2-ynamide;1-(3-tert-butylpyrrolidin-1-yl)prop-2-en-1-one;(E)-4-(dimethylamino)-N-(2,2-dimethylpropyl)-N-ethylbut-2-enamide;(E)-4-(dimethylamino)-N-(2,2-dimethylpropyl)-N-methylbut-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 (CID 157413909) is N-tert-butyl-2-fluorocyclohexene-1-carboxamide;N-tert-butyl-2-fluorocyclopentene-1-carboxamide;N-tert-butylprop-2-ynamide;1-(3-tert-butylpyrrolidin-1-yl)prop-2-en-1-one;(E)-4-(dimethylamino)-N-(2,2-dimethylpropyl)-N-ethylbut-2-enamide;(E)-4-(dimethylamino)-N-(2,2-dimethylpropyl)-N-methylbut-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.

What is the SMILES notation for N-tert-butyl-2-fluorocyclohexene-1-carboxamide;N-tert-butyl-2-fluorocyclopentene-1-carboxamide;N-tert-butylprop-2-ynamide;1-(3-tert-butylpyrrolidin-1-yl)prop-2-en-1-one;(E)-4-(dimethylamino)-N-(2,2-dimethylpropyl)-N-ethylbut-2-enamide;(E)-4-(dimethylamino)-N-(2,2-dimethylpropyl)-N-methylbut-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?

The canonical SMILES for N-tert-butyl-2-fluorocyclohexene-1-carboxamide;N-tert-butyl-2-fluorocyclopentene-1-carboxamide;N-tert-butylprop-2-ynamide;1-(3-tert-butylpyrrolidin-1-yl)prop-2-en-1-one;(E)-4-(dimethylamino)-N-(2,2-dimethylpropyl)-N-ethylbut-2-enamide;(E)-4-(dimethylamino)-N-(2,2-dimethylpropyl)-N-methylbut-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 is C#CC(=O)C(C)(C)C.C#CC(=O)NC(C)(C)C.C#CC(=O)OCC(C)(C)C.C=CC(=O)N1CCC(C(C)(C)C)C1.C=CC(=O)OCC(C)(C)C.CC(=O)C1(C(=O)OCC(C)(C)C)CC1.CC(C)(C)C(=O)C1(C#N)CC1.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)N(C)CC(C)(C)C.

What is the InChIKey of N-tert-butyl-2-fluorocyclohexene-1-carboxamide;N-tert-butyl-2-fluorocyclopentene-1-carboxamide;N-tert-butylprop-2-ynamide;1-(3-tert-butylpyrrolidin-1-yl)prop-2-en-1-one;(E)-4-(dimethylamino)-N-(2,2-dimethylpropyl)-N-ethylbut-2-enamide;(E)-4-(dimethylamino)-N-(2,2-dimethylpropyl)-N-methylbut-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?

The InChIKey is BOPOCOSDVWSKBC-USECEYFJSA-N. The full InChI is InChI=1S/C13H26N2O.C12H24N2O.C11H18FNO.C11H19NO.C11H18O3.C10H16FNO.C9H13NO.C8H14O2.C8H12O2.C7H11NO.C7H10O/c1-7-15(11-13(2,3)4)12(16)9-8-10-14(5)6;1-12(2,3)10-14(6)11(15)8-7-9-13(4)5;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;1-10(2,3)12-9(13)7-5-4-6-8(7)11;1-8(2,3)7(11)9(6-10)4-5-9;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/h8-9H,7,10-11H2,1-6H3;7-8H,9-10H2,1-6H3;4-7H2,1-3H3,(H,13,14);5,9H,1,6-8H2,2-4H3;5-7H2,1-4H3;4-6H2,1-3H3,(H,12,13);4-5H2,1-3H3;5H,1,6H2,2-4H3;1H,6H2,2-4H3;1H,2-4H3,(H,8,9);1H,2-4H3/b9-8+;8-7+;;;;;;;;;.

What are the key properties of N-tert-butyl-2-fluorocyclohexene-1-carboxamide;N-tert-butyl-2-fluorocyclopentene-1-carboxamide;N-tert-butylprop-2-ynamide;1-(3-tert-butylpyrrolidin-1-yl)prop-2-en-1-one;(E)-4-(dimethylamino)-N-(2,2-dimethylpropyl)-N-ethylbut-2-enamide;(E)-4-(dimethylamino)-N-(2,2-dimethylpropyl)-N-methylbut-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?

N-tert-butyl-2-fluorocyclohexene-1-carboxamide;N-tert-butyl-2-fluorocyclopentene-1-carboxamide;N-tert-butylprop-2-ynamide;1-(3-tert-butylpyrrolidin-1-yl)prop-2-en-1-one;(E)-4-(dimethylamino)-N-(2,2-dimethylpropyl)-N-ethylbut-2-enamide;(E)-4-(dimethylamino)-N-(2,2-dimethylpropyl)-N-methylbut-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 has a molecular weight of 1871.67 g/mol, XLogP of 19.27, 19 rotatable bonds, 3 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for N-tert-butyl-2-fluorocyclohexene-1-carboxamide;N-tert-butyl-2-fluorocyclopentene-1-carboxamide;N-tert-butylprop-2-ynamide;1-(3-tert-butylpyrrolidin-1-yl)prop-2-en-1-one;(E)-4-(dimethylamino)-N-(2,2-dimethylpropyl)-N-ethylbut-2-enamide;(E)-4-(dimethylamino)-N-(2,2-dimethylpropyl)-N-methylbut-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 is sourced from PubChem (CID 157413909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).