5-tert-butyl-1-cyclobutylpyridin-2-one;5-tert-butyl-2-methylidenepiperidine;5-tert-butyl-2-methylidene-1H-pyrazine;3-tert-butyl-6-methylidene-1H-pyridazine;4-tert-butyl-1-methyl-2-methylidenepyridine;tris(2-tert-butyl-5-methylpyridine);bis(2-tert-butyl-6-methylpyridine);4-tert-butyl-2-methylpyridine;6-tert-butyl-3-methyl-1H-pyridin-2-one;2-tert-butylphenol;3-tert-butylphenol;3-tert-butylpyridine;2-tert-butyl-1H-pyridin-4-one;5-tert-butyl-1H-pyridin-2-one;1-(6-tert-butyl-3-pyridinyl)ethanone

C180H270N18O7 — CID 159636724

IUPAC5-tert-butyl-1-cyclobutylpyridin-2-one;5-tert-butyl-2-methylidenepiperidine;5-tert-butyl-2-methylidene-1H-pyrazine;3-tert-butyl-6-methylidene-1H-pyridazine;4-tert-butyl-1-methyl-2-methylidenepyridine;tris(2-tert-butyl-5-methylpyridine);bis(2-tert-butyl-6-methylpyridine);4-tert-butyl-2-methylpyridine;6-tert-butyl-3-methyl-1H-pyridin-2-one;2-tert-butylphenol;3-tert-butylphenol;3-tert-butylpyridine;2-tert-butyl-1H-pyridin-4-one;5-tert-butyl-1H-pyridin-2-one;1-(6-tert-butyl-3-pyridinyl)ethanone
SMILESC=C1C=C(C(C)(C)C)C=CN1C.C=C1C=CC(C(C)(C)C)=NN1.C=C1C=NC(C(C)(C)C)=CN1.C=C1CCC(C(C)(C)C)CN1.CC(=O)c1ccc(C(C)(C)C)nc1.CC(C)(C)c1cc(=O)cc[nH]1.CC(C)(C)c1ccc(=O)[nH]c1.CC(C)(C)c1ccc(=O)n(C2CCC2)c1.CC(C)(C)c1cccc(O)c1.CC(C)(C)c1ccccc1O.CC(C)(C)c1cccnc1.Cc1cc(C(C)(C)C)ccn1.Cc1ccc(C(C)(C)C)[nH]c1=O.Cc1ccc(C(C)(C)C)nc1.Cc1ccc(C(C)(C)C)nc1.Cc1ccc(C(C)(C)C)nc1.Cc1cccc(C(C)(C)C)n1.Cc1cccc(C(C)(C)C)n1
InChIInChI=1S/C13H19NO.C11H15NO.C11H17N.C10H15NO.C10H15N.C10H19N.5C10H15N.2C10H14O.2C9H14N2.2C9H13NO.C9H13N/c1-13(2,3)10-7-8-12(15)14(9-10)11-5-4-6-11;1-8(13)9-5-6-10(12-7-9)11(2,3)4;1-9-8-10(11(2,3)4)6-7-12(9)5;1-7-5-6-8(10(2,3)4)11-9(7)12;1-8-7-9(5-6-11-8)10(2,3)4;1-8-5-6-9(7-11-8)10(2,3)4;3*1-8-5-6-9(11-7-8)10(2,3)4;2*1-8-6-5-7-9(11-8)10(2,3)4;1-10(2,3)8-5-4-6-9(11)7-8;1-10(2,3)8-6-4-5-7-9(8)11;1-7-5-11-8(6-10-7)9(2,3)4;1-7-5-6-8(11-10-7)9(2,3)4;1-9(2,3)8-6-7(11)4-5-10-8;1-9(2,3)7-4-5-8(11)10-6-7;1-9(2,3)8-5-4-6-10-7-8/h7-9,11H,4-6H2,1-3H3;5-7H,1-4H3;6-8H,1H2,2-5H3;5-6H,1-4H3,(H,11,12);5-7H,1-4H3;9,11H,1,5-7H2,2-4H3;5*5-7H,1-4H3;2*4-7,11H,1-3H3;2*5-6,10H,1H2,2-4H3;2*4-6H,1-3H3,(H,10,11);4-7H,1-3H3
InChIKeyMPVLQWOEDHGNAE-UHFFFAOYSA-N
MW2798.26 g/mol
LogP44.26
Rot. Bonds2

About 5-tert-butyl-1-cyclobutylpyridin-2-one;5-tert-butyl-2-methylidenepiperidine;5-tert-butyl-2-methylidene-1H-pyrazine;3-tert-butyl-6-methylidene-1H-pyridazine;4-tert-butyl-1-methyl-2-methylidenepyridine;tris(2-tert-butyl-5-methylpyridine);bis(2-tert-butyl-6-methylpyridine);4-tert-butyl-2-methylpyridine;6-tert-butyl-3-methyl-1H-pyridin-2-one;2-tert-butylphenol;3-tert-butylphenol;3-tert-butylpyridine;2-tert-butyl-1H-pyridin-4-one;5-tert-butyl-1H-pyridin-2-one;1-(6-tert-butyl-3-pyridinyl)ethanone

5-tert-butyl-1-cyclobutylpyridin-2-one;5-tert-butyl-2-methylidenepiperidine;5-tert-butyl-2-methylidene-1H-pyrazine;3-tert-butyl-6-methylidene-1H-pyridazine;4-tert-butyl-1-methyl-2-methylidenepyridine;tris(2-tert-butyl-5-methylpyridine);bis(2-tert-butyl-6-methylpyridine);4-tert-butyl-2-methylpyridine;6-tert-butyl-3-methyl-1H-pyridin-2-one;2-tert-butylphenol;3-tert-butylphenol;3-tert-butylpyridine;2-tert-butyl-1H-pyridin-4-one;5-tert-butyl-1H-pyridin-2-one;1-(6-tert-butyl-3-pyridinyl)ethanone (PubChem CID 159636724) has the molecular formula C180H270N18O7 and a molecular weight of 2798.26 g/mol. Its IUPAC name is 5-tert-butyl-1-cyclobutylpyridin-2-one;5-tert-butyl-2-methylidenepiperidine;5-tert-butyl-2-methylidene-1H-pyrazine;3-tert-butyl-6-methylidene-1H-pyridazine;4-tert-butyl-1-methyl-2-methylidenepyridine;tris(2-tert-butyl-5-methylpyridine);bis(2-tert-butyl-6-methylpyridine);4-tert-butyl-2-methylpyridine;6-tert-butyl-3-methyl-1H-pyridin-2-one;2-tert-butylphenol;3-tert-butylphenol;3-tert-butylpyridine;2-tert-butyl-1H-pyridin-4-one;5-tert-butyl-1H-pyridin-2-one;1-(6-tert-butyl-3-pyridinyl)ethanone.

Molecular Properties

Compound Name5-tert-butyl-1-cyclobutylpyridin-2-one;5-tert-butyl-2-methylidenepiperidine;5-tert-butyl-2-methylidene-1H-pyrazine;3-tert-butyl-6-methylidene-1H-pyridazine;4-tert-butyl-1-methyl-2-methylidenepyridine;tris(2-tert-butyl-5-methylpyridine);bis(2-tert-butyl-6-methylpyridine);4-tert-butyl-2-methylpyridine;6-tert-butyl-3-methyl-1H-pyridin-2-one;2-tert-butylphenol;3-tert-butylphenol;3-tert-butylpyridine;2-tert-butyl-1H-pyridin-4-one;5-tert-butyl-1H-pyridin-2-one;1-(6-tert-butyl-3-pyridinyl)ethanone
PubChem CID159636724
Molecular FormulaC180H270N18O7
Molecular Weight2798.26 g/mol
Exact Mass2796.13
IUPAC Name5-tert-butyl-1-cyclobutylpyridin-2-one;5-tert-butyl-2-methylidenepiperidine;5-tert-butyl-2-methylidene-1H-pyrazine;3-tert-butyl-6-methylidene-1H-pyridazine;4-tert-butyl-1-methyl-2-methylidenepyridine;tris(2-tert-butyl-5-methylpyridine);bis(2-tert-butyl-6-methylpyridine);4-tert-butyl-2-methylpyridine;6-tert-butyl-3-methyl-1H-pyridin-2-one;2-tert-butylphenol;3-tert-butylphenol;3-tert-butylpyridine;2-tert-butyl-1H-pyridin-4-one;5-tert-butyl-1H-pyridin-2-one;1-(6-tert-butyl-3-pyridinyl)ethanone
SMILESC=C1C=C(C(C)(C)C)C=CN1C.C=C1C=CC(C(C)(C)C)=NN1.C=C1C=NC(C(C)(C)C)=CN1.C=C1CCC(C(C)(C)C)CN1.CC(=O)c1ccc(C(C)(C)C)nc1.CC(C)(C)c1cc(=O)cc[nH]1.CC(C)(C)c1ccc(=O)[nH]c1.CC(C)(C)c1ccc(=O)n(C2CCC2)c1.CC(C)(C)c1cccc(O)c1.CC(C)(C)c1ccccc1O.CC(C)(C)c1cccnc1.Cc1cc(C(C)(C)C)ccn1.Cc1ccc(C(C)(C)C)[nH]c1=O.Cc1ccc(C(C)(C)C)nc1.Cc1ccc(C(C)(C)C)nc1.Cc1ccc(C(C)(C)C)nc1.Cc1cccc(C(C)(C)C)n1.Cc1cccc(C(C)(C)C)n1
InChIInChI=1S/C13H19NO.C11H15NO.C11H17N.C10H15NO.C10H15N.C10H19N.5C10H15N.2C10H14O.2C9H14N2.2C9H13NO.C9H13N/c1-13(2,3)10-7-8-12(15)14(9-10)11-5-4-6-11;1-8(13)9-5-6-10(12-7-9)11(2,3)4;1-9-8-10(11(2,3)4)6-7-12(9)5;1-7-5-6-8(10(2,3)4)11-9(7)12;1-8-7-9(5-6-11-8)10(2,3)4;1-8-5-6-9(7-11-8)10(2,3)4;3*1-8-5-6-9(11-7-8)10(2,3)4;2*1-8-6-5-7-9(11-8)10(2,3)4;1-10(2,3)8-5-4-6-9(11)7-8;1-10(2,3)8-6-4-5-7-9(8)11;1-7-5-11-8(6-10-7)9(2,3)4;1-7-5-6-8(11-10-7)9(2,3)4;1-9(2,3)8-6-7(11)4-5-10-8;1-9(2,3)7-4-5-8(11)10-6-7;1-9(2,3)8-5-4-6-10-7-8/h7-9,11H,4-6H2,1-3H3;5-7H,1-4H3;6-8H,1H2,2-5H3;5-6H,1-4H3,(H,11,12);5-7H,1-4H3;9,11H,1,5-7H2,2-4H3;5*5-7H,1-4H3;2*4-7,11H,1-3H3;2*5-6,10H,1H2,2-4H3;2*4-6H,1-3H3,(H,10,11);4-7H,1-3H3
InChIKeyMPVLQWOEDHGNAE-UHFFFAOYSA-N
XLogP44.26
TPSA345.28 Ų
H-Bond Donors8
H-Bond Acceptors22
Rotatable Bonds2
Heavy Atoms205
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002798.26
LogP ≤ 544.26
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1022

Analyze 5-tert-butyl-1-cyclobutylpyridin-2-one;5-tert-butyl-2-methylidenepiperidine;5-tert-butyl-2-methylidene-1H-pyrazine;3-tert-butyl-6-methylidene-1H-pyridazine;4-tert-butyl-1-methyl-2-methylidenepyridine;tris(2-tert-butyl-5-methylpyridine);bis(2-tert-butyl-6-methylpyridine);4-tert-butyl-2-methylpyridine;6-tert-butyl-3-methyl-1H-pyridin-2-one;2-tert-butylphenol;3-tert-butylphenol;3-tert-butylpyridine;2-tert-butyl-1H-pyridin-4-one;5-tert-butyl-1H-pyridin-2-one;1-(6-tert-butyl-3-pyridinyl)ethanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-1-cyclobutylpyridin-2-one;5-tert-butyl-2-methylidenepiperidine;5-tert-butyl-2-methylidene-1H-pyrazine;3-tert-butyl-6-methylidene-1H-pyridazine;4-tert-butyl-1-methyl-2-methylidenepyridine;tris(2-tert-butyl-5-methylpyridine);bis(2-tert-butyl-6-methylpyridine);4-tert-butyl-2-methylpyridine;6-tert-butyl-3-methyl-1H-pyridin-2-one;2-tert-butylphenol;3-tert-butylphenol;3-tert-butylpyridine;2-tert-butyl-1H-pyridin-4-one;5-tert-butyl-1H-pyridin-2-one;1-(6-tert-butyl-3-pyridinyl)ethanone?
The IUPAC name of 5-tert-butyl-1-cyclobutylpyridin-2-one;5-tert-butyl-2-methylidenepiperidine;5-tert-butyl-2-methylidene-1H-pyrazine;3-tert-butyl-6-methylidene-1H-pyridazine;4-tert-butyl-1-methyl-2-methylidenepyridine;tris(2-tert-butyl-5-methylpyridine);bis(2-tert-butyl-6-methylpyridine);4-tert-butyl-2-methylpyridine;6-tert-butyl-3-methyl-1H-pyridin-2-one;2-tert-butylphenol;3-tert-butylphenol;3-tert-butylpyridine;2-tert-butyl-1H-pyridin-4-one;5-tert-butyl-1H-pyridin-2-one;1-(6-tert-butyl-3-pyridinyl)ethanone (CID 159636724) is 5-tert-butyl-1-cyclobutylpyridin-2-one;5-tert-butyl-2-methylidenepiperidine;5-tert-butyl-2-methylidene-1H-pyrazine;3-tert-butyl-6-methylidene-1H-pyridazine;4-tert-butyl-1-methyl-2-methylidenepyridine;tris(2-tert-butyl-5-methylpyridine);bis(2-tert-butyl-6-methylpyridine);4-tert-butyl-2-methylpyridine;6-tert-butyl-3-methyl-1H-pyridin-2-one;2-tert-butylphenol;3-tert-butylphenol;3-tert-butylpyridine;2-tert-butyl-1H-pyridin-4-one;5-tert-butyl-1H-pyridin-2-one;1-(6-tert-butyl-3-pyridinyl)ethanone.
What is the SMILES notation for 5-tert-butyl-1-cyclobutylpyridin-2-one;5-tert-butyl-2-methylidenepiperidine;5-tert-butyl-2-methylidene-1H-pyrazine;3-tert-butyl-6-methylidene-1H-pyridazine;4-tert-butyl-1-methyl-2-methylidenepyridine;tris(2-tert-butyl-5-methylpyridine);bis(2-tert-butyl-6-methylpyridine);4-tert-butyl-2-methylpyridine;6-tert-butyl-3-methyl-1H-pyridin-2-one;2-tert-butylphenol;3-tert-butylphenol;3-tert-butylpyridine;2-tert-butyl-1H-pyridin-4-one;5-tert-butyl-1H-pyridin-2-one;1-(6-tert-butyl-3-pyridinyl)ethanone?
The canonical SMILES for 5-tert-butyl-1-cyclobutylpyridin-2-one;5-tert-butyl-2-methylidenepiperidine;5-tert-butyl-2-methylidene-1H-pyrazine;3-tert-butyl-6-methylidene-1H-pyridazine;4-tert-butyl-1-methyl-2-methylidenepyridine;tris(2-tert-butyl-5-methylpyridine);bis(2-tert-butyl-6-methylpyridine);4-tert-butyl-2-methylpyridine;6-tert-butyl-3-methyl-1H-pyridin-2-one;2-tert-butylphenol;3-tert-butylphenol;3-tert-butylpyridine;2-tert-butyl-1H-pyridin-4-one;5-tert-butyl-1H-pyridin-2-one;1-(6-tert-butyl-3-pyridinyl)ethanone is C=C1C=C(C(C)(C)C)C=CN1C.C=C1C=CC(C(C)(C)C)=NN1.C=C1C=NC(C(C)(C)C)=CN1.C=C1CCC(C(C)(C)C)CN1.CC(=O)c1ccc(C(C)(C)C)nc1.CC(C)(C)c1cc(=O)cc[nH]1.CC(C)(C)c1ccc(=O)[nH]c1.CC(C)(C)c1ccc(=O)n(C2CCC2)c1.CC(C)(C)c1cccc(O)c1.CC(C)(C)c1ccccc1O.CC(C)(C)c1cccnc1.Cc1cc(C(C)(C)C)ccn1.Cc1ccc(C(C)(C)C)[nH]c1=O.Cc1ccc(C(C)(C)C)nc1.Cc1ccc(C(C)(C)C)nc1.Cc1ccc(C(C)(C)C)nc1.Cc1cccc(C(C)(C)C)n1.Cc1cccc(C(C)(C)C)n1.
What is the InChIKey of 5-tert-butyl-1-cyclobutylpyridin-2-one;5-tert-butyl-2-methylidenepiperidine;5-tert-butyl-2-methylidene-1H-pyrazine;3-tert-butyl-6-methylidene-1H-pyridazine;4-tert-butyl-1-methyl-2-methylidenepyridine;tris(2-tert-butyl-5-methylpyridine);bis(2-tert-butyl-6-methylpyridine);4-tert-butyl-2-methylpyridine;6-tert-butyl-3-methyl-1H-pyridin-2-one;2-tert-butylphenol;3-tert-butylphenol;3-tert-butylpyridine;2-tert-butyl-1H-pyridin-4-one;5-tert-butyl-1H-pyridin-2-one;1-(6-tert-butyl-3-pyridinyl)ethanone?
The InChIKey is MPVLQWOEDHGNAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO.C11H15NO.C11H17N.C10H15NO.C10H15N.C10H19N.5C10H15N.2C10H14O.2C9H14N2.2C9H13NO.C9H13N/c1-13(2,3)10-7-8-12(15)14(9-10)11-5-4-6-11;1-8(13)9-5-6-10(12-7-9)11(2,3)4;1-9-8-10(11(2,3)4)6-7-12(9)5;1-7-5-6-8(10(2,3)4)11-9(7)12;1-8-7-9(5-6-11-8)10(2,3)4;1-8-5-6-9(7-11-8)10(2,3)4;3*1-8-5-6-9(11-7-8)10(2,3)4;2*1-8-6-5-7-9(11-8)10(2,3)4;1-10(2,3)8-5-4-6-9(11)7-8;1-10(2,3)8-6-4-5-7-9(8)11;1-7-5-11-8(6-10-7)9(2,3)4;1-7-5-6-8(11-10-7)9(2,3)4;1-9(2,3)8-6-7(11)4-5-10-8;1-9(2,3)7-4-5-8(11)10-6-7;1-9(2,3)8-5-4-6-10-7-8/h7-9,11H,4-6H2,1-3H3;5-7H,1-4H3;6-8H,1H2,2-5H3;5-6H,1-4H3,(H,11,12);5-7H,1-4H3;9,11H,1,5-7H2,2-4H3;5*5-7H,1-4H3;2*4-7,11H,1-3H3;2*5-6,10H,1H2,2-4H3;2*4-6H,1-3H3,(H,10,11);4-7H,1-3H3.
What are the key properties of 5-tert-butyl-1-cyclobutylpyridin-2-one;5-tert-butyl-2-methylidenepiperidine;5-tert-butyl-2-methylidene-1H-pyrazine;3-tert-butyl-6-methylidene-1H-pyridazine;4-tert-butyl-1-methyl-2-methylidenepyridine;tris(2-tert-butyl-5-methylpyridine);bis(2-tert-butyl-6-methylpyridine);4-tert-butyl-2-methylpyridine;6-tert-butyl-3-methyl-1H-pyridin-2-one;2-tert-butylphenol;3-tert-butylphenol;3-tert-butylpyridine;2-tert-butyl-1H-pyridin-4-one;5-tert-butyl-1H-pyridin-2-one;1-(6-tert-butyl-3-pyridinyl)ethanone?
5-tert-butyl-1-cyclobutylpyridin-2-one;5-tert-butyl-2-methylidenepiperidine;5-tert-butyl-2-methylidene-1H-pyrazine;3-tert-butyl-6-methylidene-1H-pyridazine;4-tert-butyl-1-methyl-2-methylidenepyridine;tris(2-tert-butyl-5-methylpyridine);bis(2-tert-butyl-6-methylpyridine);4-tert-butyl-2-methylpyridine;6-tert-butyl-3-methyl-1H-pyridin-2-one;2-tert-butylphenol;3-tert-butylphenol;3-tert-butylpyridine;2-tert-butyl-1H-pyridin-4-one;5-tert-butyl-1H-pyridin-2-one;1-(6-tert-butyl-3-pyridinyl)ethanone has a molecular weight of 2798.26 g/mol, XLogP of 44.26, 2 rotatable bonds, 8 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-1-cyclobutylpyridin-2-one;5-tert-butyl-2-methylidenepiperidine;5-tert-butyl-2-methylidene-1H-pyrazine;3-tert-butyl-6-methylidene-1H-pyridazine;4-tert-butyl-1-methyl-2-methylidenepyridine;tris(2-tert-butyl-5-methylpyridine);bis(2-tert-butyl-6-methylpyridine);4-tert-butyl-2-methylpyridine;6-tert-butyl-3-methyl-1H-pyridin-2-one;2-tert-butylphenol;3-tert-butylphenol;3-tert-butylpyridine;2-tert-butyl-1H-pyridin-4-one;5-tert-butyl-1H-pyridin-2-one;1-(6-tert-butyl-3-pyridinyl)ethanone is sourced from PubChem (CID 159636724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).