1-cyclobutyl-2-methylpropan-1-one;1-cyclopropyl-2-methylpropan-1-one;1-(2,2-difluorocyclopropyl)-2-methylpropan-1-one;1-(furan-2-yl)-2-methylpropan-1-one;1-(1-hydroxycyclopropyl)-2-methylpropan-1-one;methane;bis(2-methyl-1-(1-methylcyclopropyl)propan-1-one);2-methyl-1-[(2S)-5-methylidenepyrrolidin-2-yl]propan-1-one;2-methyl-1-[(2R)-5-methylidenepyrrolidin-2-yl]propan-1-one;2-methyl-1-(1-methylpyrazol-3-yl)propan-1-one;2-methyl-1-(1-methylpyrazol-4-yl)propan-1-one;2-methyl-1-(6-methyl-2-pyridinyl)propan-1-one;2-methyl-1-(1-methylpyrrol-2-yl)propan-1-one;3-methyl-1-morpholin-4-ylbutan-2-one;1-(3-methyl-2-oxobutyl)pyrrolidin-2-one;2-methyl-1-[(2R)-oxolan-2-yl]propan-1-one;2-methyl-1-[(2S)-oxolan-2-yl]propan-1-one;4-methyl-1-pyrazol-1-ylpentan-3-one;2-methyl-1-pyridin-2-ylpropan-1-one

C159H255F2N13O25 — CID 160786738

IUPAC1-cyclobutyl-2-methylpropan-1-one;1-cyclopropyl-2-methylpropan-1-one;1-(2,2-difluorocyclopropyl)-2-methylpropan-1-one;1-(furan-2-yl)-2-methylpropan-1-one;1-(1-hydroxycyclopropyl)-2-methylpropan-1-one;methane;bis(2-methyl-1-(1-methylcyclopropyl)propan-1-one);2-methyl-1-[(2S)-5-methylidenepyrrolidin-2-yl]propan-1-one;2-methyl-1-[(2R)-5-methylidenepyrrolidin-2-yl]propan-1-one;2-methyl-1-(1-methylpyrazol-3-yl)propan-1-one;2-methyl-1-(1-methylpyrazol-4-yl)propan-1-one;2-methyl-1-(6-methyl-2-pyridinyl)propan-1-one;2-methyl-1-(1-methylpyrrol-2-yl)propan-1-one;3-methyl-1-morpholin-4-ylbutan-2-one;1-(3-methyl-2-oxobutyl)pyrrolidin-2-one;2-methyl-1-[(2R)-oxolan-2-yl]propan-1-one;2-methyl-1-[(2S)-oxolan-2-yl]propan-1-one;4-methyl-1-pyrazol-1-ylpentan-3-one;2-methyl-1-pyridin-2-ylpropan-1-one
SMILESC.C=C1CC[C@@H](C(=O)C(C)C)N1.C=C1CC[C@H](C(=O)C(C)C)N1.CC(C)C(=O)C1(C)CC1.CC(C)C(=O)C1(C)CC1.CC(C)C(=O)C1(O)CC1.CC(C)C(=O)C1CC1.CC(C)C(=O)C1CC1(F)F.CC(C)C(=O)C1CCC1.CC(C)C(=O)CCn1cccn1.CC(C)C(=O)CN1CCCC1=O.CC(C)C(=O)CN1CCOCC1.CC(C)C(=O)[C@@H]1CCCO1.CC(C)C(=O)[C@H]1CCCO1.CC(C)C(=O)c1ccccn1.CC(C)C(=O)c1cccn1C.CC(C)C(=O)c1ccco1.CC(C)C(=O)c1ccn(C)n1.CC(C)C(=O)c1cnn(C)c1.Cc1cccc(C(=O)C(C)C)n1
InChIInChI=1S/C10H13NO.C9H14N2O.C9H17NO2.C9H15NO2.C9H13NO.2C9H15NO.C9H11NO.2C8H12N2O.2C8H14O2.C8H10O2.3C8H14O.C7H10F2O.C7H12O2.C7H12O.CH4/c1-7(2)10(12)9-6-4-5-8(3)11-9;1-8(2)9(12)4-7-11-6-3-5-10-11;1-8(2)9(11)7-10-3-5-12-6-4-10;1-7(2)8(11)6-10-5-3-4-9(10)12;1-7(2)9(11)8-5-4-6-10(8)3;2*1-6(2)9(11)8-5-4-7(3)10-8;1-7(2)9(11)8-5-3-4-6-10-8;1-6(2)8(11)7-4-9-10(3)5-7;1-6(2)8(11)7-4-5-10(3)9-7;3*1-6(2)8(9)7-4-3-5-10-7;2*1-6(2)7(9)8(3)4-5-8;1-6(2)8(9)7-4-3-5-7;1-4(2)6(10)5-3-7(5,8)9;1-5(2)6(8)7(9)3-4-7;1-5(2)7(8)6-3-4-6;/h4-7H,1-3H3;3,5-6,8H,4,7H2,1-2H3;8H,3-7H2,1-2H3;7H,3-6H2,1-2H3;4-7H,1-3H3;2*6,8,10H,3-5H2,1-2H3;3-7H,1-2H3;2*4-6H,1-3H3;2*6-7H,3-5H2,1-2H3;3-6H,1-2H3;2*6H,4-5H2,1-3H3;6-7H,3-5H2,1-2H3;4-5H,3H2,1-2H3;5,9H,3-4H2,1-2H3;5-6H,3-4H2,1-2H3;1H4/t;;;;;2*8-;;;;2*7-;;;;;;;;/m.....10...10......../s1
InChIKeySBHQBHMIPXMQPN-BYKKNFOSSA-N
MW2786.85 g/mol
LogP30.16
Rot. Bonds42

About 1-cyclobutyl-2-methylpropan-1-one;1-cyclopropyl-2-methylpropan-1-one;1-(2,2-difluorocyclopropyl)-2-methylpropan-1-one;1-(furan-2-yl)-2-methylpropan-1-one;1-(1-hydroxycyclopropyl)-2-methylpropan-1-one;methane;bis(2-methyl-1-(1-methylcyclopropyl)propan-1-one);2-methyl-1-[(2S)-5-methylidenepyrrolidin-2-yl]propan-1-one;2-methyl-1-[(2R)-5-methylidenepyrrolidin-2-yl]propan-1-one;2-methyl-1-(1-methylpyrazol-3-yl)propan-1-one;2-methyl-1-(1-methylpyrazol-4-yl)propan-1-one;2-methyl-1-(6-methyl-2-pyridinyl)propan-1-one;2-methyl-1-(1-methylpyrrol-2-yl)propan-1-one;3-methyl-1-morpholin-4-ylbutan-2-one;1-(3-methyl-2-oxobutyl)pyrrolidin-2-one;2-methyl-1-[(2R)-oxolan-2-yl]propan-1-one;2-methyl-1-[(2S)-oxolan-2-yl]propan-1-one;4-methyl-1-pyrazol-1-ylpentan-3-one;2-methyl-1-pyridin-2-ylpropan-1-one

1-cyclobutyl-2-methylpropan-1-one;1-cyclopropyl-2-methylpropan-1-one;1-(2,2-difluorocyclopropyl)-2-methylpropan-1-one;1-(furan-2-yl)-2-methylpropan-1-one;1-(1-hydroxycyclopropyl)-2-methylpropan-1-one;methane;bis(2-methyl-1-(1-methylcyclopropyl)propan-1-one);2-methyl-1-[(2S)-5-methylidenepyrrolidin-2-yl]propan-1-one;2-methyl-1-[(2R)-5-methylidenepyrrolidin-2-yl]propan-1-one;2-methyl-1-(1-methylpyrazol-3-yl)propan-1-one;2-methyl-1-(1-methylpyrazol-4-yl)propan-1-one;2-methyl-1-(6-methyl-2-pyridinyl)propan-1-one;2-methyl-1-(1-methylpyrrol-2-yl)propan-1-one;3-methyl-1-morpholin-4-ylbutan-2-one;1-(3-methyl-2-oxobutyl)pyrrolidin-2-one;2-methyl-1-[(2R)-oxolan-2-yl]propan-1-one;2-methyl-1-[(2S)-oxolan-2-yl]propan-1-one;4-methyl-1-pyrazol-1-ylpentan-3-one;2-methyl-1-pyridin-2-ylpropan-1-one (PubChem CID 160786738) has the molecular formula C159H255F2N13O25 and a molecular weight of 2786.85 g/mol. Its IUPAC name is 1-cyclobutyl-2-methylpropan-1-one;1-cyclopropyl-2-methylpropan-1-one;1-(2,2-difluorocyclopropyl)-2-methylpropan-1-one;1-(furan-2-yl)-2-methylpropan-1-one;1-(1-hydroxycyclopropyl)-2-methylpropan-1-one;methane;bis(2-methyl-1-(1-methylcyclopropyl)propan-1-one);2-methyl-1-[(2S)-5-methylidenepyrrolidin-2-yl]propan-1-one;2-methyl-1-[(2R)-5-methylidenepyrrolidin-2-yl]propan-1-one;2-methyl-1-(1-methylpyrazol-3-yl)propan-1-one;2-methyl-1-(1-methylpyrazol-4-yl)propan-1-one;2-methyl-1-(6-methyl-2-pyridinyl)propan-1-one;2-methyl-1-(1-methylpyrrol-2-yl)propan-1-one;3-methyl-1-morpholin-4-ylbutan-2-one;1-(3-methyl-2-oxobutyl)pyrrolidin-2-one;2-methyl-1-[(2R)-oxolan-2-yl]propan-1-one;2-methyl-1-[(2S)-oxolan-2-yl]propan-1-one;4-methyl-1-pyrazol-1-ylpentan-3-one;2-methyl-1-pyridin-2-ylpropan-1-one.

Molecular Properties

Compound Name1-cyclobutyl-2-methylpropan-1-one;1-cyclopropyl-2-methylpropan-1-one;1-(2,2-difluorocyclopropyl)-2-methylpropan-1-one;1-(furan-2-yl)-2-methylpropan-1-one;1-(1-hydroxycyclopropyl)-2-methylpropan-1-one;methane;bis(2-methyl-1-(1-methylcyclopropyl)propan-1-one);2-methyl-1-[(2S)-5-methylidenepyrrolidin-2-yl]propan-1-one;2-methyl-1-[(2R)-5-methylidenepyrrolidin-2-yl]propan-1-one;2-methyl-1-(1-methylpyrazol-3-yl)propan-1-one;2-methyl-1-(1-methylpyrazol-4-yl)propan-1-one;2-methyl-1-(6-methyl-2-pyridinyl)propan-1-one;2-methyl-1-(1-methylpyrrol-2-yl)propan-1-one;3-methyl-1-morpholin-4-ylbutan-2-one;1-(3-methyl-2-oxobutyl)pyrrolidin-2-one;2-methyl-1-[(2R)-oxolan-2-yl]propan-1-one;2-methyl-1-[(2S)-oxolan-2-yl]propan-1-one;4-methyl-1-pyrazol-1-ylpentan-3-one;2-methyl-1-pyridin-2-ylpropan-1-one
PubChem CID160786738
Molecular FormulaC159H255F2N13O25
Molecular Weight2786.85 g/mol
Exact Mass2784.91
IUPAC Name1-cyclobutyl-2-methylpropan-1-one;1-cyclopropyl-2-methylpropan-1-one;1-(2,2-difluorocyclopropyl)-2-methylpropan-1-one;1-(furan-2-yl)-2-methylpropan-1-one;1-(1-hydroxycyclopropyl)-2-methylpropan-1-one;methane;bis(2-methyl-1-(1-methylcyclopropyl)propan-1-one);2-methyl-1-[(2S)-5-methylidenepyrrolidin-2-yl]propan-1-one;2-methyl-1-[(2R)-5-methylidenepyrrolidin-2-yl]propan-1-one;2-methyl-1-(1-methylpyrazol-3-yl)propan-1-one;2-methyl-1-(1-methylpyrazol-4-yl)propan-1-one;2-methyl-1-(6-methyl-2-pyridinyl)propan-1-one;2-methyl-1-(1-methylpyrrol-2-yl)propan-1-one;3-methyl-1-morpholin-4-ylbutan-2-one;1-(3-methyl-2-oxobutyl)pyrrolidin-2-one;2-methyl-1-[(2R)-oxolan-2-yl]propan-1-one;2-methyl-1-[(2S)-oxolan-2-yl]propan-1-one;4-methyl-1-pyrazol-1-ylpentan-3-one;2-methyl-1-pyridin-2-ylpropan-1-one
SMILESC.C=C1CC[C@@H](C(=O)C(C)C)N1.C=C1CC[C@H](C(=O)C(C)C)N1.CC(C)C(=O)C1(C)CC1.CC(C)C(=O)C1(C)CC1.CC(C)C(=O)C1(O)CC1.CC(C)C(=O)C1CC1.CC(C)C(=O)C1CC1(F)F.CC(C)C(=O)C1CCC1.CC(C)C(=O)CCn1cccn1.CC(C)C(=O)CN1CCCC1=O.CC(C)C(=O)CN1CCOCC1.CC(C)C(=O)[C@@H]1CCCO1.CC(C)C(=O)[C@H]1CCCO1.CC(C)C(=O)c1ccccn1.CC(C)C(=O)c1cccn1C.CC(C)C(=O)c1ccco1.CC(C)C(=O)c1ccn(C)n1.CC(C)C(=O)c1cnn(C)c1.Cc1cccc(C(=O)C(C)C)n1
InChIInChI=1S/C10H13NO.C9H14N2O.C9H17NO2.C9H15NO2.C9H13NO.2C9H15NO.C9H11NO.2C8H12N2O.2C8H14O2.C8H10O2.3C8H14O.C7H10F2O.C7H12O2.C7H12O.CH4/c1-7(2)10(12)9-6-4-5-8(3)11-9;1-8(2)9(12)4-7-11-6-3-5-10-11;1-8(2)9(11)7-10-3-5-12-6-4-10;1-7(2)8(11)6-10-5-3-4-9(10)12;1-7(2)9(11)8-5-4-6-10(8)3;2*1-6(2)9(11)8-5-4-7(3)10-8;1-7(2)9(11)8-5-3-4-6-10-8;1-6(2)8(11)7-4-9-10(3)5-7;1-6(2)8(11)7-4-5-10(3)9-7;3*1-6(2)8(9)7-4-3-5-10-7;2*1-6(2)7(9)8(3)4-5-8;1-6(2)8(9)7-4-3-5-7;1-4(2)6(10)5-3-7(5,8)9;1-5(2)6(8)7(9)3-4-7;1-5(2)7(8)6-3-4-6;/h4-7H,1-3H3;3,5-6,8H,4,7H2,1-2H3;8H,3-7H2,1-2H3;7H,3-6H2,1-2H3;4-7H,1-3H3;2*6,8,10H,3-5H2,1-2H3;3-7H,1-2H3;2*4-6H,1-3H3;2*6-7H,3-5H2,1-2H3;3-6H,1-2H3;2*6H,4-5H2,1-3H3;6-7H,3-5H2,1-2H3;4-5H,3H2,1-2H3;5,9H,3-4H2,1-2H3;5-6H,3-4H2,1-2H3;1H4/t;;;;;2*8-;;;;2*7-;;;;;;;;/m.....10...10......../s1
InChIKeySBHQBHMIPXMQPN-BYKKNFOSSA-N
XLogP30.16
TPSA517.17 Ų
H-Bond Donors3
H-Bond Acceptors37
Rotatable Bonds42
Heavy Atoms199
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002786.85
LogP ≤ 530.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1037

Analyze 1-cyclobutyl-2-methylpropan-1-one;1-cyclopropyl-2-methylpropan-1-one;1-(2,2-difluorocyclopropyl)-2-methylpropan-1-one;1-(furan-2-yl)-2-methylpropan-1-one;1-(1-hydroxycyclopropyl)-2-methylpropan-1-one;methane;bis(2-methyl-1-(1-methylcyclopropyl)propan-1-one);2-methyl-1-[(2S)-5-methylidenepyrrolidin-2-yl]propan-1-one;2-methyl-1-[(2R)-5-methylidenepyrrolidin-2-yl]propan-1-one;2-methyl-1-(1-methylpyrazol-3-yl)propan-1-one;2-methyl-1-(1-methylpyrazol-4-yl)propan-1-one;2-methyl-1-(6-methyl-2-pyridinyl)propan-1-one;2-methyl-1-(1-methylpyrrol-2-yl)propan-1-one;3-methyl-1-morpholin-4-ylbutan-2-one;1-(3-methyl-2-oxobutyl)pyrrolidin-2-one;2-methyl-1-[(2R)-oxolan-2-yl]propan-1-one;2-methyl-1-[(2S)-oxolan-2-yl]propan-1-one;4-methyl-1-pyrazol-1-ylpentan-3-one;2-methyl-1-pyridin-2-ylpropan-1-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-cyclobutyl-2-methylpropan-1-one;1-cyclopropyl-2-methylpropan-1-one;1-(2,2-difluorocyclopropyl)-2-methylpropan-1-one;1-(furan-2-yl)-2-methylpropan-1-one;1-(1-hydroxycyclopropyl)-2-methylpropan-1-one;methane;bis(2-methyl-1-(1-methylcyclopropyl)propan-1-one);2-methyl-1-[(2S)-5-methylidenepyrrolidin-2-yl]propan-1-one;2-methyl-1-[(2R)-5-methylidenepyrrolidin-2-yl]propan-1-one;2-methyl-1-(1-methylpyrazol-3-yl)propan-1-one;2-methyl-1-(1-methylpyrazol-4-yl)propan-1-one;2-methyl-1-(6-methyl-2-pyridinyl)propan-1-one;2-methyl-1-(1-methylpyrrol-2-yl)propan-1-one;3-methyl-1-morpholin-4-ylbutan-2-one;1-(3-methyl-2-oxobutyl)pyrrolidin-2-one;2-methyl-1-[(2R)-oxolan-2-yl]propan-1-one;2-methyl-1-[(2S)-oxolan-2-yl]propan-1-one;4-methyl-1-pyrazol-1-ylpentan-3-one;2-methyl-1-pyridin-2-ylpropan-1-one?
The IUPAC name of 1-cyclobutyl-2-methylpropan-1-one;1-cyclopropyl-2-methylpropan-1-one;1-(2,2-difluorocyclopropyl)-2-methylpropan-1-one;1-(furan-2-yl)-2-methylpropan-1-one;1-(1-hydroxycyclopropyl)-2-methylpropan-1-one;methane;bis(2-methyl-1-(1-methylcyclopropyl)propan-1-one);2-methyl-1-[(2S)-5-methylidenepyrrolidin-2-yl]propan-1-one;2-methyl-1-[(2R)-5-methylidenepyrrolidin-2-yl]propan-1-one;2-methyl-1-(1-methylpyrazol-3-yl)propan-1-one;2-methyl-1-(1-methylpyrazol-4-yl)propan-1-one;2-methyl-1-(6-methyl-2-pyridinyl)propan-1-one;2-methyl-1-(1-methylpyrrol-2-yl)propan-1-one;3-methyl-1-morpholin-4-ylbutan-2-one;1-(3-methyl-2-oxobutyl)pyrrolidin-2-one;2-methyl-1-[(2R)-oxolan-2-yl]propan-1-one;2-methyl-1-[(2S)-oxolan-2-yl]propan-1-one;4-methyl-1-pyrazol-1-ylpentan-3-one;2-methyl-1-pyridin-2-ylpropan-1-one (CID 160786738) is 1-cyclobutyl-2-methylpropan-1-one;1-cyclopropyl-2-methylpropan-1-one;1-(2,2-difluorocyclopropyl)-2-methylpropan-1-one;1-(furan-2-yl)-2-methylpropan-1-one;1-(1-hydroxycyclopropyl)-2-methylpropan-1-one;methane;bis(2-methyl-1-(1-methylcyclopropyl)propan-1-one);2-methyl-1-[(2S)-5-methylidenepyrrolidin-2-yl]propan-1-one;2-methyl-1-[(2R)-5-methylidenepyrrolidin-2-yl]propan-1-one;2-methyl-1-(1-methylpyrazol-3-yl)propan-1-one;2-methyl-1-(1-methylpyrazol-4-yl)propan-1-one;2-methyl-1-(6-methyl-2-pyridinyl)propan-1-one;2-methyl-1-(1-methylpyrrol-2-yl)propan-1-one;3-methyl-1-morpholin-4-ylbutan-2-one;1-(3-methyl-2-oxobutyl)pyrrolidin-2-one;2-methyl-1-[(2R)-oxolan-2-yl]propan-1-one;2-methyl-1-[(2S)-oxolan-2-yl]propan-1-one;4-methyl-1-pyrazol-1-ylpentan-3-one;2-methyl-1-pyridin-2-ylpropan-1-one.
What is the SMILES notation for 1-cyclobutyl-2-methylpropan-1-one;1-cyclopropyl-2-methylpropan-1-one;1-(2,2-difluorocyclopropyl)-2-methylpropan-1-one;1-(furan-2-yl)-2-methylpropan-1-one;1-(1-hydroxycyclopropyl)-2-methylpropan-1-one;methane;bis(2-methyl-1-(1-methylcyclopropyl)propan-1-one);2-methyl-1-[(2S)-5-methylidenepyrrolidin-2-yl]propan-1-one;2-methyl-1-[(2R)-5-methylidenepyrrolidin-2-yl]propan-1-one;2-methyl-1-(1-methylpyrazol-3-yl)propan-1-one;2-methyl-1-(1-methylpyrazol-4-yl)propan-1-one;2-methyl-1-(6-methyl-2-pyridinyl)propan-1-one;2-methyl-1-(1-methylpyrrol-2-yl)propan-1-one;3-methyl-1-morpholin-4-ylbutan-2-one;1-(3-methyl-2-oxobutyl)pyrrolidin-2-one;2-methyl-1-[(2R)-oxolan-2-yl]propan-1-one;2-methyl-1-[(2S)-oxolan-2-yl]propan-1-one;4-methyl-1-pyrazol-1-ylpentan-3-one;2-methyl-1-pyridin-2-ylpropan-1-one?
The canonical SMILES for 1-cyclobutyl-2-methylpropan-1-one;1-cyclopropyl-2-methylpropan-1-one;1-(2,2-difluorocyclopropyl)-2-methylpropan-1-one;1-(furan-2-yl)-2-methylpropan-1-one;1-(1-hydroxycyclopropyl)-2-methylpropan-1-one;methane;bis(2-methyl-1-(1-methylcyclopropyl)propan-1-one);2-methyl-1-[(2S)-5-methylidenepyrrolidin-2-yl]propan-1-one;2-methyl-1-[(2R)-5-methylidenepyrrolidin-2-yl]propan-1-one;2-methyl-1-(1-methylpyrazol-3-yl)propan-1-one;2-methyl-1-(1-methylpyrazol-4-yl)propan-1-one;2-methyl-1-(6-methyl-2-pyridinyl)propan-1-one;2-methyl-1-(1-methylpyrrol-2-yl)propan-1-one;3-methyl-1-morpholin-4-ylbutan-2-one;1-(3-methyl-2-oxobutyl)pyrrolidin-2-one;2-methyl-1-[(2R)-oxolan-2-yl]propan-1-one;2-methyl-1-[(2S)-oxolan-2-yl]propan-1-one;4-methyl-1-pyrazol-1-ylpentan-3-one;2-methyl-1-pyridin-2-ylpropan-1-one is C.C=C1CC[C@@H](C(=O)C(C)C)N1.C=C1CC[C@H](C(=O)C(C)C)N1.CC(C)C(=O)C1(C)CC1.CC(C)C(=O)C1(C)CC1.CC(C)C(=O)C1(O)CC1.CC(C)C(=O)C1CC1.CC(C)C(=O)C1CC1(F)F.CC(C)C(=O)C1CCC1.CC(C)C(=O)CCn1cccn1.CC(C)C(=O)CN1CCCC1=O.CC(C)C(=O)CN1CCOCC1.CC(C)C(=O)[C@@H]1CCCO1.CC(C)C(=O)[C@H]1CCCO1.CC(C)C(=O)c1ccccn1.CC(C)C(=O)c1cccn1C.CC(C)C(=O)c1ccco1.CC(C)C(=O)c1ccn(C)n1.CC(C)C(=O)c1cnn(C)c1.Cc1cccc(C(=O)C(C)C)n1.
What is the InChIKey of 1-cyclobutyl-2-methylpropan-1-one;1-cyclopropyl-2-methylpropan-1-one;1-(2,2-difluorocyclopropyl)-2-methylpropan-1-one;1-(furan-2-yl)-2-methylpropan-1-one;1-(1-hydroxycyclopropyl)-2-methylpropan-1-one;methane;bis(2-methyl-1-(1-methylcyclopropyl)propan-1-one);2-methyl-1-[(2S)-5-methylidenepyrrolidin-2-yl]propan-1-one;2-methyl-1-[(2R)-5-methylidenepyrrolidin-2-yl]propan-1-one;2-methyl-1-(1-methylpyrazol-3-yl)propan-1-one;2-methyl-1-(1-methylpyrazol-4-yl)propan-1-one;2-methyl-1-(6-methyl-2-pyridinyl)propan-1-one;2-methyl-1-(1-methylpyrrol-2-yl)propan-1-one;3-methyl-1-morpholin-4-ylbutan-2-one;1-(3-methyl-2-oxobutyl)pyrrolidin-2-one;2-methyl-1-[(2R)-oxolan-2-yl]propan-1-one;2-methyl-1-[(2S)-oxolan-2-yl]propan-1-one;4-methyl-1-pyrazol-1-ylpentan-3-one;2-methyl-1-pyridin-2-ylpropan-1-one?
The InChIKey is SBHQBHMIPXMQPN-BYKKNFOSSA-N. The full InChI is InChI=1S/C10H13NO.C9H14N2O.C9H17NO2.C9H15NO2.C9H13NO.2C9H15NO.C9H11NO.2C8H12N2O.2C8H14O2.C8H10O2.3C8H14O.C7H10F2O.C7H12O2.C7H12O.CH4/c1-7(2)10(12)9-6-4-5-8(3)11-9;1-8(2)9(12)4-7-11-6-3-5-10-11;1-8(2)9(11)7-10-3-5-12-6-4-10;1-7(2)8(11)6-10-5-3-4-9(10)12;1-7(2)9(11)8-5-4-6-10(8)3;2*1-6(2)9(11)8-5-4-7(3)10-8;1-7(2)9(11)8-5-3-4-6-10-8;1-6(2)8(11)7-4-9-10(3)5-7;1-6(2)8(11)7-4-5-10(3)9-7;3*1-6(2)8(9)7-4-3-5-10-7;2*1-6(2)7(9)8(3)4-5-8;1-6(2)8(9)7-4-3-5-7;1-4(2)6(10)5-3-7(5,8)9;1-5(2)6(8)7(9)3-4-7;1-5(2)7(8)6-3-4-6;/h4-7H,1-3H3;3,5-6,8H,4,7H2,1-2H3;8H,3-7H2,1-2H3;7H,3-6H2,1-2H3;4-7H,1-3H3;2*6,8,10H,3-5H2,1-2H3;3-7H,1-2H3;2*4-6H,1-3H3;2*6-7H,3-5H2,1-2H3;3-6H,1-2H3;2*6H,4-5H2,1-3H3;6-7H,3-5H2,1-2H3;4-5H,3H2,1-2H3;5,9H,3-4H2,1-2H3;5-6H,3-4H2,1-2H3;1H4/t;;;;;2*8-;;;;2*7-;;;;;;;;/m.....10...10......../s1.
What are the key properties of 1-cyclobutyl-2-methylpropan-1-one;1-cyclopropyl-2-methylpropan-1-one;1-(2,2-difluorocyclopropyl)-2-methylpropan-1-one;1-(furan-2-yl)-2-methylpropan-1-one;1-(1-hydroxycyclopropyl)-2-methylpropan-1-one;methane;bis(2-methyl-1-(1-methylcyclopropyl)propan-1-one);2-methyl-1-[(2S)-5-methylidenepyrrolidin-2-yl]propan-1-one;2-methyl-1-[(2R)-5-methylidenepyrrolidin-2-yl]propan-1-one;2-methyl-1-(1-methylpyrazol-3-yl)propan-1-one;2-methyl-1-(1-methylpyrazol-4-yl)propan-1-one;2-methyl-1-(6-methyl-2-pyridinyl)propan-1-one;2-methyl-1-(1-methylpyrrol-2-yl)propan-1-one;3-methyl-1-morpholin-4-ylbutan-2-one;1-(3-methyl-2-oxobutyl)pyrrolidin-2-one;2-methyl-1-[(2R)-oxolan-2-yl]propan-1-one;2-methyl-1-[(2S)-oxolan-2-yl]propan-1-one;4-methyl-1-pyrazol-1-ylpentan-3-one;2-methyl-1-pyridin-2-ylpropan-1-one?
1-cyclobutyl-2-methylpropan-1-one;1-cyclopropyl-2-methylpropan-1-one;1-(2,2-difluorocyclopropyl)-2-methylpropan-1-one;1-(furan-2-yl)-2-methylpropan-1-one;1-(1-hydroxycyclopropyl)-2-methylpropan-1-one;methane;bis(2-methyl-1-(1-methylcyclopropyl)propan-1-one);2-methyl-1-[(2S)-5-methylidenepyrrolidin-2-yl]propan-1-one;2-methyl-1-[(2R)-5-methylidenepyrrolidin-2-yl]propan-1-one;2-methyl-1-(1-methylpyrazol-3-yl)propan-1-one;2-methyl-1-(1-methylpyrazol-4-yl)propan-1-one;2-methyl-1-(6-methyl-2-pyridinyl)propan-1-one;2-methyl-1-(1-methylpyrrol-2-yl)propan-1-one;3-methyl-1-morpholin-4-ylbutan-2-one;1-(3-methyl-2-oxobutyl)pyrrolidin-2-one;2-methyl-1-[(2R)-oxolan-2-yl]propan-1-one;2-methyl-1-[(2S)-oxolan-2-yl]propan-1-one;4-methyl-1-pyrazol-1-ylpentan-3-one;2-methyl-1-pyridin-2-ylpropan-1-one has a molecular weight of 2786.85 g/mol, XLogP of 30.16, 42 rotatable bonds, 3 hydrogen bond donors, and 37 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclobutyl-2-methylpropan-1-one;1-cyclopropyl-2-methylpropan-1-one;1-(2,2-difluorocyclopropyl)-2-methylpropan-1-one;1-(furan-2-yl)-2-methylpropan-1-one;1-(1-hydroxycyclopropyl)-2-methylpropan-1-one;methane;bis(2-methyl-1-(1-methylcyclopropyl)propan-1-one);2-methyl-1-[(2S)-5-methylidenepyrrolidin-2-yl]propan-1-one;2-methyl-1-[(2R)-5-methylidenepyrrolidin-2-yl]propan-1-one;2-methyl-1-(1-methylpyrazol-3-yl)propan-1-one;2-methyl-1-(1-methylpyrazol-4-yl)propan-1-one;2-methyl-1-(6-methyl-2-pyridinyl)propan-1-one;2-methyl-1-(1-methylpyrrol-2-yl)propan-1-one;3-methyl-1-morpholin-4-ylbutan-2-one;1-(3-methyl-2-oxobutyl)pyrrolidin-2-one;2-methyl-1-[(2R)-oxolan-2-yl]propan-1-one;2-methyl-1-[(2S)-oxolan-2-yl]propan-1-one;4-methyl-1-pyrazol-1-ylpentan-3-one;2-methyl-1-pyridin-2-ylpropan-1-one is sourced from PubChem (CID 160786738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).