1-cyclopropyl-5-propan-2-ylpyridin-2-one;2,4-dimethyl-5-propan-2-ylpyridine;2-methyl-1-oxido-5-propan-2-ylpyridin-1-ium;1-methyl-4-propan-2-ylisoquinoline;2-methyl-5-propan-2-ylpyridin-3-ol;1-methyl-5-propan-2-ylpyridin-2-one;2-methyl-5-propan-2-yl-1H-pyridin-4-one;6-methyl-3-propan-2-yl-1H-pyridin-2-one;5-propan-2-yl-1H-pyridin-2-one;5-propan-2-yl-1-(trifluoromethyl)pyridin-2-one

C96H131F3N10O8 — CID 158036502

IUPAC1-cyclopropyl-5-propan-2-ylpyridin-2-one;2,4-dimethyl-5-propan-2-ylpyridine;2-methyl-1-oxido-5-propan-2-ylpyridin-1-ium;1-methyl-4-propan-2-ylisoquinoline;2-methyl-5-propan-2-ylpyridin-3-ol;1-methyl-5-propan-2-ylpyridin-2-one;2-methyl-5-propan-2-yl-1H-pyridin-4-one;6-methyl-3-propan-2-yl-1H-pyridin-2-one;5-propan-2-yl-1H-pyridin-2-one;5-propan-2-yl-1-(trifluoromethyl)pyridin-2-one
SMILESCC(C)c1ccc(=O)[nH]c1.CC(C)c1ccc(=O)n(C(F)(F)F)c1.CC(C)c1ccc(=O)n(C)c1.CC(C)c1ccc(=O)n(C2CC2)c1.Cc1cc(=O)c(C(C)C)c[nH]1.Cc1cc(C)c(C(C)C)cn1.Cc1ccc(C(C)C)c(=O)[nH]1.Cc1ccc(C(C)C)c[n+]1[O-].Cc1ncc(C(C)C)c2ccccc12.Cc1ncc(C(C)C)cc1O
InChIInChI=1S/C13H15N.C11H15NO.C10H15N.C9H10F3NO.5C9H13NO.C8H11NO/c1-9(2)13-8-14-10(3)11-6-4-5-7-12(11)13;1-8(2)9-3-6-11(13)12(7-9)10-4-5-10;1-7(2)10-6-11-9(4)5-8(10)3;1-6(2)7-3-4-8(14)13(5-7)9(10,11)12;1-6(2)8-4-9(11)7(3)10-5-8;1-6(2)8-5-10-7(3)4-9(8)11;1-7(2)8-4-5-9(11)10(3)6-8;1-7(2)9-5-4-8(3)10(11)6-9;1-6(2)8-5-4-7(3)10-9(8)11;1-6(2)7-3-4-8(10)9-5-7/h4-9H,1-3H3;3,6-8,10H,4-5H2,1-2H3;5-7H,1-4H3;3-6H,1-2H3;4-6,11H,1-3H3;4-6H,1-3H3,(H,10,11);2*4-7H,1-3H3;4-6H,1-3H3,(H,10,11);3-6H,1-2H3,(H,9,10)
InChIKeyFHURIOSTJUQZRI-UHFFFAOYSA-N
MW1610.16 g/mol
LogP21.83
Rot. Bonds11

About 1-cyclopropyl-5-propan-2-ylpyridin-2-one;2,4-dimethyl-5-propan-2-ylpyridine;2-methyl-1-oxido-5-propan-2-ylpyridin-1-ium;1-methyl-4-propan-2-ylisoquinoline;2-methyl-5-propan-2-ylpyridin-3-ol;1-methyl-5-propan-2-ylpyridin-2-one;2-methyl-5-propan-2-yl-1H-pyridin-4-one;6-methyl-3-propan-2-yl-1H-pyridin-2-one;5-propan-2-yl-1H-pyridin-2-one;5-propan-2-yl-1-(trifluoromethyl)pyridin-2-one

1-cyclopropyl-5-propan-2-ylpyridin-2-one;2,4-dimethyl-5-propan-2-ylpyridine;2-methyl-1-oxido-5-propan-2-ylpyridin-1-ium;1-methyl-4-propan-2-ylisoquinoline;2-methyl-5-propan-2-ylpyridin-3-ol;1-methyl-5-propan-2-ylpyridin-2-one;2-methyl-5-propan-2-yl-1H-pyridin-4-one;6-methyl-3-propan-2-yl-1H-pyridin-2-one;5-propan-2-yl-1H-pyridin-2-one;5-propan-2-yl-1-(trifluoromethyl)pyridin-2-one (PubChem CID 158036502) has the molecular formula C96H131F3N10O8 and a molecular weight of 1610.16 g/mol. Its IUPAC name is 1-cyclopropyl-5-propan-2-ylpyridin-2-one;2,4-dimethyl-5-propan-2-ylpyridine;2-methyl-1-oxido-5-propan-2-ylpyridin-1-ium;1-methyl-4-propan-2-ylisoquinoline;2-methyl-5-propan-2-ylpyridin-3-ol;1-methyl-5-propan-2-ylpyridin-2-one;2-methyl-5-propan-2-yl-1H-pyridin-4-one;6-methyl-3-propan-2-yl-1H-pyridin-2-one;5-propan-2-yl-1H-pyridin-2-one;5-propan-2-yl-1-(trifluoromethyl)pyridin-2-one.

Molecular Properties

Compound Name1-cyclopropyl-5-propan-2-ylpyridin-2-one;2,4-dimethyl-5-propan-2-ylpyridine;2-methyl-1-oxido-5-propan-2-ylpyridin-1-ium;1-methyl-4-propan-2-ylisoquinoline;2-methyl-5-propan-2-ylpyridin-3-ol;1-methyl-5-propan-2-ylpyridin-2-one;2-methyl-5-propan-2-yl-1H-pyridin-4-one;6-methyl-3-propan-2-yl-1H-pyridin-2-one;5-propan-2-yl-1H-pyridin-2-one;5-propan-2-yl-1-(trifluoromethyl)pyridin-2-one
PubChem CID158036502
Molecular FormulaC96H131F3N10O8
Molecular Weight1610.16 g/mol
Exact Mass1609.01
IUPAC Name1-cyclopropyl-5-propan-2-ylpyridin-2-one;2,4-dimethyl-5-propan-2-ylpyridine;2-methyl-1-oxido-5-propan-2-ylpyridin-1-ium;1-methyl-4-propan-2-ylisoquinoline;2-methyl-5-propan-2-ylpyridin-3-ol;1-methyl-5-propan-2-ylpyridin-2-one;2-methyl-5-propan-2-yl-1H-pyridin-4-one;6-methyl-3-propan-2-yl-1H-pyridin-2-one;5-propan-2-yl-1H-pyridin-2-one;5-propan-2-yl-1-(trifluoromethyl)pyridin-2-one
SMILESCC(C)c1ccc(=O)[nH]c1.CC(C)c1ccc(=O)n(C(F)(F)F)c1.CC(C)c1ccc(=O)n(C)c1.CC(C)c1ccc(=O)n(C2CC2)c1.Cc1cc(=O)c(C(C)C)c[nH]1.Cc1cc(C)c(C(C)C)cn1.Cc1ccc(C(C)C)c(=O)[nH]1.Cc1ccc(C(C)C)c[n+]1[O-].Cc1ncc(C(C)C)c2ccccc12.Cc1ncc(C(C)C)cc1O
InChIInChI=1S/C13H15N.C11H15NO.C10H15N.C9H10F3NO.5C9H13NO.C8H11NO/c1-9(2)13-8-14-10(3)11-6-4-5-7-12(11)13;1-8(2)9-3-6-11(13)12(7-9)10-4-5-10;1-7(2)10-6-11-9(4)5-8(10)3;1-6(2)7-3-4-8(14)13(5-7)9(10,11)12;1-6(2)8-4-9(11)7(3)10-5-8;1-6(2)8-5-10-7(3)4-9(8)11;1-7(2)8-4-5-9(11)10(3)6-8;1-7(2)9-5-4-8(3)10(11)6-9;1-6(2)8-5-4-7(3)10-9(8)11;1-6(2)7-3-4-8(10)9-5-7/h4-9H,1-3H3;3,6-8,10H,4-5H2,1-2H3;5-7H,1-4H3;3-6H,1-2H3;4-6,11H,1-3H3;4-6H,1-3H3,(H,10,11);2*4-7H,1-3H3;4-6H,1-3H3,(H,10,11);3-6H,1-2H3,(H,9,10)
InChIKeyFHURIOSTJUQZRI-UHFFFAOYSA-N
XLogP21.83
TPSA250.42 Ų
H-Bond Donors4
H-Bond Acceptors14
Rotatable Bonds11
Heavy Atoms117
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001610.16
LogP ≤ 521.83
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N_oxide', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze 1-cyclopropyl-5-propan-2-ylpyridin-2-one;2,4-dimethyl-5-propan-2-ylpyridine;2-methyl-1-oxido-5-propan-2-ylpyridin-1-ium;1-methyl-4-propan-2-ylisoquinoline;2-methyl-5-propan-2-ylpyridin-3-ol;1-methyl-5-propan-2-ylpyridin-2-one;2-methyl-5-propan-2-yl-1H-pyridin-4-one;6-methyl-3-propan-2-yl-1H-pyridin-2-one;5-propan-2-yl-1H-pyridin-2-one;5-propan-2-yl-1-(trifluoromethyl)pyridin-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-5-propan-2-ylpyridin-2-one;2,4-dimethyl-5-propan-2-ylpyridine;2-methyl-1-oxido-5-propan-2-ylpyridin-1-ium;1-methyl-4-propan-2-ylisoquinoline;2-methyl-5-propan-2-ylpyridin-3-ol;1-methyl-5-propan-2-ylpyridin-2-one;2-methyl-5-propan-2-yl-1H-pyridin-4-one;6-methyl-3-propan-2-yl-1H-pyridin-2-one;5-propan-2-yl-1H-pyridin-2-one;5-propan-2-yl-1-(trifluoromethyl)pyridin-2-one?
The IUPAC name of 1-cyclopropyl-5-propan-2-ylpyridin-2-one;2,4-dimethyl-5-propan-2-ylpyridine;2-methyl-1-oxido-5-propan-2-ylpyridin-1-ium;1-methyl-4-propan-2-ylisoquinoline;2-methyl-5-propan-2-ylpyridin-3-ol;1-methyl-5-propan-2-ylpyridin-2-one;2-methyl-5-propan-2-yl-1H-pyridin-4-one;6-methyl-3-propan-2-yl-1H-pyridin-2-one;5-propan-2-yl-1H-pyridin-2-one;5-propan-2-yl-1-(trifluoromethyl)pyridin-2-one (CID 158036502) is 1-cyclopropyl-5-propan-2-ylpyridin-2-one;2,4-dimethyl-5-propan-2-ylpyridine;2-methyl-1-oxido-5-propan-2-ylpyridin-1-ium;1-methyl-4-propan-2-ylisoquinoline;2-methyl-5-propan-2-ylpyridin-3-ol;1-methyl-5-propan-2-ylpyridin-2-one;2-methyl-5-propan-2-yl-1H-pyridin-4-one;6-methyl-3-propan-2-yl-1H-pyridin-2-one;5-propan-2-yl-1H-pyridin-2-one;5-propan-2-yl-1-(trifluoromethyl)pyridin-2-one.
What is the SMILES notation for 1-cyclopropyl-5-propan-2-ylpyridin-2-one;2,4-dimethyl-5-propan-2-ylpyridine;2-methyl-1-oxido-5-propan-2-ylpyridin-1-ium;1-methyl-4-propan-2-ylisoquinoline;2-methyl-5-propan-2-ylpyridin-3-ol;1-methyl-5-propan-2-ylpyridin-2-one;2-methyl-5-propan-2-yl-1H-pyridin-4-one;6-methyl-3-propan-2-yl-1H-pyridin-2-one;5-propan-2-yl-1H-pyridin-2-one;5-propan-2-yl-1-(trifluoromethyl)pyridin-2-one?
The canonical SMILES for 1-cyclopropyl-5-propan-2-ylpyridin-2-one;2,4-dimethyl-5-propan-2-ylpyridine;2-methyl-1-oxido-5-propan-2-ylpyridin-1-ium;1-methyl-4-propan-2-ylisoquinoline;2-methyl-5-propan-2-ylpyridin-3-ol;1-methyl-5-propan-2-ylpyridin-2-one;2-methyl-5-propan-2-yl-1H-pyridin-4-one;6-methyl-3-propan-2-yl-1H-pyridin-2-one;5-propan-2-yl-1H-pyridin-2-one;5-propan-2-yl-1-(trifluoromethyl)pyridin-2-one is CC(C)c1ccc(=O)[nH]c1.CC(C)c1ccc(=O)n(C(F)(F)F)c1.CC(C)c1ccc(=O)n(C)c1.CC(C)c1ccc(=O)n(C2CC2)c1.Cc1cc(=O)c(C(C)C)c[nH]1.Cc1cc(C)c(C(C)C)cn1.Cc1ccc(C(C)C)c(=O)[nH]1.Cc1ccc(C(C)C)c[n+]1[O-].Cc1ncc(C(C)C)c2ccccc12.Cc1ncc(C(C)C)cc1O.
What is the InChIKey of 1-cyclopropyl-5-propan-2-ylpyridin-2-one;2,4-dimethyl-5-propan-2-ylpyridine;2-methyl-1-oxido-5-propan-2-ylpyridin-1-ium;1-methyl-4-propan-2-ylisoquinoline;2-methyl-5-propan-2-ylpyridin-3-ol;1-methyl-5-propan-2-ylpyridin-2-one;2-methyl-5-propan-2-yl-1H-pyridin-4-one;6-methyl-3-propan-2-yl-1H-pyridin-2-one;5-propan-2-yl-1H-pyridin-2-one;5-propan-2-yl-1-(trifluoromethyl)pyridin-2-one?
The InChIKey is FHURIOSTJUQZRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N.C11H15NO.C10H15N.C9H10F3NO.5C9H13NO.C8H11NO/c1-9(2)13-8-14-10(3)11-6-4-5-7-12(11)13;1-8(2)9-3-6-11(13)12(7-9)10-4-5-10;1-7(2)10-6-11-9(4)5-8(10)3;1-6(2)7-3-4-8(14)13(5-7)9(10,11)12;1-6(2)8-4-9(11)7(3)10-5-8;1-6(2)8-5-10-7(3)4-9(8)11;1-7(2)8-4-5-9(11)10(3)6-8;1-7(2)9-5-4-8(3)10(11)6-9;1-6(2)8-5-4-7(3)10-9(8)11;1-6(2)7-3-4-8(10)9-5-7/h4-9H,1-3H3;3,6-8,10H,4-5H2,1-2H3;5-7H,1-4H3;3-6H,1-2H3;4-6,11H,1-3H3;4-6H,1-3H3,(H,10,11);2*4-7H,1-3H3;4-6H,1-3H3,(H,10,11);3-6H,1-2H3,(H,9,10).
What are the key properties of 1-cyclopropyl-5-propan-2-ylpyridin-2-one;2,4-dimethyl-5-propan-2-ylpyridine;2-methyl-1-oxido-5-propan-2-ylpyridin-1-ium;1-methyl-4-propan-2-ylisoquinoline;2-methyl-5-propan-2-ylpyridin-3-ol;1-methyl-5-propan-2-ylpyridin-2-one;2-methyl-5-propan-2-yl-1H-pyridin-4-one;6-methyl-3-propan-2-yl-1H-pyridin-2-one;5-propan-2-yl-1H-pyridin-2-one;5-propan-2-yl-1-(trifluoromethyl)pyridin-2-one?
1-cyclopropyl-5-propan-2-ylpyridin-2-one;2,4-dimethyl-5-propan-2-ylpyridine;2-methyl-1-oxido-5-propan-2-ylpyridin-1-ium;1-methyl-4-propan-2-ylisoquinoline;2-methyl-5-propan-2-ylpyridin-3-ol;1-methyl-5-propan-2-ylpyridin-2-one;2-methyl-5-propan-2-yl-1H-pyridin-4-one;6-methyl-3-propan-2-yl-1H-pyridin-2-one;5-propan-2-yl-1H-pyridin-2-one;5-propan-2-yl-1-(trifluoromethyl)pyridin-2-one has a molecular weight of 1610.16 g/mol, XLogP of 21.83, 11 rotatable bonds, 4 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-5-propan-2-ylpyridin-2-one;2,4-dimethyl-5-propan-2-ylpyridine;2-methyl-1-oxido-5-propan-2-ylpyridin-1-ium;1-methyl-4-propan-2-ylisoquinoline;2-methyl-5-propan-2-ylpyridin-3-ol;1-methyl-5-propan-2-ylpyridin-2-one;2-methyl-5-propan-2-yl-1H-pyridin-4-one;6-methyl-3-propan-2-yl-1H-pyridin-2-one;5-propan-2-yl-1H-pyridin-2-one;5-propan-2-yl-1-(trifluoromethyl)pyridin-2-one is sourced from PubChem (CID 158036502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).