1-cyclopropyl-5-propan-2-ylpyridin-2-one;2,4-dimethyl-1-propan-2-ylbenzene;2,6-dimethyl-3-propan-2-ylpyridine;methane;2-methyl-5-propan-2-ylpyrazine;2-methyl-5-propan-2-ylpyridin-3-ol;bis(1-methyl-5-propan-2-ylpyridin-2-one);2-methyl-5-propan-2-ylpyrimidine;5-propan-2-yl-1H-pyridin-2-one;2-propan-2-yl-5-(trifluoromethyl)pyrazine;5-propan-2-yl-2-(trifluoromethyl)pyridine

C102H147F6N13O5 — CID 160573310

IUPAC1-cyclopropyl-5-propan-2-ylpyridin-2-one;2,4-dimethyl-1-propan-2-ylbenzene;2,6-dimethyl-3-propan-2-ylpyridine;methane;2-methyl-5-propan-2-ylpyrazine;2-methyl-5-propan-2-ylpyridin-3-ol;bis(1-methyl-5-propan-2-ylpyridin-2-one);2-methyl-5-propan-2-ylpyrimidine;5-propan-2-yl-1H-pyridin-2-one;2-propan-2-yl-5-(trifluoromethyl)pyrazine;5-propan-2-yl-2-(trifluoromethyl)pyridine
SMILESC.C.CC(C)c1ccc(=O)[nH]c1.CC(C)c1ccc(=O)n(C)c1.CC(C)c1ccc(=O)n(C)c1.CC(C)c1ccc(=O)n(C2CC2)c1.CC(C)c1ccc(C(F)(F)F)nc1.CC(C)c1cnc(C(F)(F)F)cn1.Cc1ccc(C(C)C)c(C)c1.Cc1ccc(C(C)C)c(C)n1.Cc1cnc(C(C)C)cn1.Cc1ncc(C(C)C)cc1O.Cc1ncc(C(C)C)cn1
InChIInChI=1S/C11H15NO.C11H16.C10H15N.C9H10F3N.3C9H13NO.C8H9F3N2.2C8H12N2.C8H11NO.2CH4/c1-8(2)9-3-6-11(13)12(7-9)10-4-5-10;1-8(2)11-6-5-9(3)7-10(11)4;1-7(2)10-6-5-8(3)11-9(10)4;1-6(2)7-3-4-8(13-5-7)9(10,11)12;1-6(2)8-4-9(11)7(3)10-5-8;2*1-7(2)8-4-5-9(11)10(3)6-8;1-5(2)6-3-13-7(4-12-6)8(9,10)11;1-6(2)8-4-9-7(3)10-5-8;1-6(2)8-5-9-7(3)4-10-8;1-6(2)7-3-4-8(10)9-5-7;;/h3,6-8,10H,4-5H2,1-2H3;5-8H,1-4H3;5-7H,1-4H3;3-6H,1-2H3;4-6,11H,1-3H3;2*4-7H,1-3H3;3-5H,1-2H3;2*4-6H,1-3H3;3-6H,1-2H3,(H,9,10);2*1H4
InChIKeyRAUXUYFHZRWYTA-UHFFFAOYSA-N
MW1749.37 g/mol
LogP26.22
Rot. Bonds12

About 1-cyclopropyl-5-propan-2-ylpyridin-2-one;2,4-dimethyl-1-propan-2-ylbenzene;2,6-dimethyl-3-propan-2-ylpyridine;methane;2-methyl-5-propan-2-ylpyrazine;2-methyl-5-propan-2-ylpyridin-3-ol;bis(1-methyl-5-propan-2-ylpyridin-2-one);2-methyl-5-propan-2-ylpyrimidine;5-propan-2-yl-1H-pyridin-2-one;2-propan-2-yl-5-(trifluoromethyl)pyrazine;5-propan-2-yl-2-(trifluoromethyl)pyridine

1-cyclopropyl-5-propan-2-ylpyridin-2-one;2,4-dimethyl-1-propan-2-ylbenzene;2,6-dimethyl-3-propan-2-ylpyridine;methane;2-methyl-5-propan-2-ylpyrazine;2-methyl-5-propan-2-ylpyridin-3-ol;bis(1-methyl-5-propan-2-ylpyridin-2-one);2-methyl-5-propan-2-ylpyrimidine;5-propan-2-yl-1H-pyridin-2-one;2-propan-2-yl-5-(trifluoromethyl)pyrazine;5-propan-2-yl-2-(trifluoromethyl)pyridine (PubChem CID 160573310) has the molecular formula C102H147F6N13O5 and a molecular weight of 1749.37 g/mol. Its IUPAC name is 1-cyclopropyl-5-propan-2-ylpyridin-2-one;2,4-dimethyl-1-propan-2-ylbenzene;2,6-dimethyl-3-propan-2-ylpyridine;methane;2-methyl-5-propan-2-ylpyrazine;2-methyl-5-propan-2-ylpyridin-3-ol;bis(1-methyl-5-propan-2-ylpyridin-2-one);2-methyl-5-propan-2-ylpyrimidine;5-propan-2-yl-1H-pyridin-2-one;2-propan-2-yl-5-(trifluoromethyl)pyrazine;5-propan-2-yl-2-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name1-cyclopropyl-5-propan-2-ylpyridin-2-one;2,4-dimethyl-1-propan-2-ylbenzene;2,6-dimethyl-3-propan-2-ylpyridine;methane;2-methyl-5-propan-2-ylpyrazine;2-methyl-5-propan-2-ylpyridin-3-ol;bis(1-methyl-5-propan-2-ylpyridin-2-one);2-methyl-5-propan-2-ylpyrimidine;5-propan-2-yl-1H-pyridin-2-one;2-propan-2-yl-5-(trifluoromethyl)pyrazine;5-propan-2-yl-2-(trifluoromethyl)pyridine
PubChem CID160573310
Molecular FormulaC102H147F6N13O5
Molecular Weight1749.37 g/mol
Exact Mass1748.16
IUPAC Name1-cyclopropyl-5-propan-2-ylpyridin-2-one;2,4-dimethyl-1-propan-2-ylbenzene;2,6-dimethyl-3-propan-2-ylpyridine;methane;2-methyl-5-propan-2-ylpyrazine;2-methyl-5-propan-2-ylpyridin-3-ol;bis(1-methyl-5-propan-2-ylpyridin-2-one);2-methyl-5-propan-2-ylpyrimidine;5-propan-2-yl-1H-pyridin-2-one;2-propan-2-yl-5-(trifluoromethyl)pyrazine;5-propan-2-yl-2-(trifluoromethyl)pyridine
SMILESC.C.CC(C)c1ccc(=O)[nH]c1.CC(C)c1ccc(=O)n(C)c1.CC(C)c1ccc(=O)n(C)c1.CC(C)c1ccc(=O)n(C2CC2)c1.CC(C)c1ccc(C(F)(F)F)nc1.CC(C)c1cnc(C(F)(F)F)cn1.Cc1ccc(C(C)C)c(C)c1.Cc1ccc(C(C)C)c(C)n1.Cc1cnc(C(C)C)cn1.Cc1ncc(C(C)C)cc1O.Cc1ncc(C(C)C)cn1
InChIInChI=1S/C11H15NO.C11H16.C10H15N.C9H10F3N.3C9H13NO.C8H9F3N2.2C8H12N2.C8H11NO.2CH4/c1-8(2)9-3-6-11(13)12(7-9)10-4-5-10;1-8(2)11-6-5-9(3)7-10(11)4;1-7(2)10-6-5-8(3)11-9(10)4;1-6(2)7-3-4-8(13-5-7)9(10,11)12;1-6(2)8-4-9(11)7(3)10-5-8;2*1-7(2)8-4-5-9(11)10(3)6-8;1-5(2)6-3-13-7(4-12-6)8(9,10)11;1-6(2)8-4-9-7(3)10-5-8;1-6(2)8-5-9-7(3)4-10-8;1-6(2)7-3-4-8(10)9-5-7;;/h3,6-8,10H,4-5H2,1-2H3;5-8H,1-4H3;5-7H,1-4H3;3-6H,1-2H3;4-6,11H,1-3H3;2*4-7H,1-3H3;3-5H,1-2H3;2*4-6H,1-3H3;3-6H,1-2H3,(H,9,10);2*1H4
InChIKeyRAUXUYFHZRWYTA-UHFFFAOYSA-N
XLogP26.22
TPSA235.10 Ų
H-Bond Donors2
H-Bond Acceptors17
Rotatable Bonds12
Heavy Atoms126
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001749.37
LogP ≤ 526.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1017

Analyze 1-cyclopropyl-5-propan-2-ylpyridin-2-one;2,4-dimethyl-1-propan-2-ylbenzene;2,6-dimethyl-3-propan-2-ylpyridine;methane;2-methyl-5-propan-2-ylpyrazine;2-methyl-5-propan-2-ylpyridin-3-ol;bis(1-methyl-5-propan-2-ylpyridin-2-one);2-methyl-5-propan-2-ylpyrimidine;5-propan-2-yl-1H-pyridin-2-one;2-propan-2-yl-5-(trifluoromethyl)pyrazine;5-propan-2-yl-2-(trifluoromethyl)pyridine 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-1-propan-2-ylbenzene;2,6-dimethyl-3-propan-2-ylpyridine;methane;2-methyl-5-propan-2-ylpyrazine;2-methyl-5-propan-2-ylpyridin-3-ol;bis(1-methyl-5-propan-2-ylpyridin-2-one);2-methyl-5-propan-2-ylpyrimidine;5-propan-2-yl-1H-pyridin-2-one;2-propan-2-yl-5-(trifluoromethyl)pyrazine;5-propan-2-yl-2-(trifluoromethyl)pyridine?
The IUPAC name of 1-cyclopropyl-5-propan-2-ylpyridin-2-one;2,4-dimethyl-1-propan-2-ylbenzene;2,6-dimethyl-3-propan-2-ylpyridine;methane;2-methyl-5-propan-2-ylpyrazine;2-methyl-5-propan-2-ylpyridin-3-ol;bis(1-methyl-5-propan-2-ylpyridin-2-one);2-methyl-5-propan-2-ylpyrimidine;5-propan-2-yl-1H-pyridin-2-one;2-propan-2-yl-5-(trifluoromethyl)pyrazine;5-propan-2-yl-2-(trifluoromethyl)pyridine (CID 160573310) is 1-cyclopropyl-5-propan-2-ylpyridin-2-one;2,4-dimethyl-1-propan-2-ylbenzene;2,6-dimethyl-3-propan-2-ylpyridine;methane;2-methyl-5-propan-2-ylpyrazine;2-methyl-5-propan-2-ylpyridin-3-ol;bis(1-methyl-5-propan-2-ylpyridin-2-one);2-methyl-5-propan-2-ylpyrimidine;5-propan-2-yl-1H-pyridin-2-one;2-propan-2-yl-5-(trifluoromethyl)pyrazine;5-propan-2-yl-2-(trifluoromethyl)pyridine.
What is the SMILES notation for 1-cyclopropyl-5-propan-2-ylpyridin-2-one;2,4-dimethyl-1-propan-2-ylbenzene;2,6-dimethyl-3-propan-2-ylpyridine;methane;2-methyl-5-propan-2-ylpyrazine;2-methyl-5-propan-2-ylpyridin-3-ol;bis(1-methyl-5-propan-2-ylpyridin-2-one);2-methyl-5-propan-2-ylpyrimidine;5-propan-2-yl-1H-pyridin-2-one;2-propan-2-yl-5-(trifluoromethyl)pyrazine;5-propan-2-yl-2-(trifluoromethyl)pyridine?
The canonical SMILES for 1-cyclopropyl-5-propan-2-ylpyridin-2-one;2,4-dimethyl-1-propan-2-ylbenzene;2,6-dimethyl-3-propan-2-ylpyridine;methane;2-methyl-5-propan-2-ylpyrazine;2-methyl-5-propan-2-ylpyridin-3-ol;bis(1-methyl-5-propan-2-ylpyridin-2-one);2-methyl-5-propan-2-ylpyrimidine;5-propan-2-yl-1H-pyridin-2-one;2-propan-2-yl-5-(trifluoromethyl)pyrazine;5-propan-2-yl-2-(trifluoromethyl)pyridine is C.C.CC(C)c1ccc(=O)[nH]c1.CC(C)c1ccc(=O)n(C)c1.CC(C)c1ccc(=O)n(C)c1.CC(C)c1ccc(=O)n(C2CC2)c1.CC(C)c1ccc(C(F)(F)F)nc1.CC(C)c1cnc(C(F)(F)F)cn1.Cc1ccc(C(C)C)c(C)c1.Cc1ccc(C(C)C)c(C)n1.Cc1cnc(C(C)C)cn1.Cc1ncc(C(C)C)cc1O.Cc1ncc(C(C)C)cn1.
What is the InChIKey of 1-cyclopropyl-5-propan-2-ylpyridin-2-one;2,4-dimethyl-1-propan-2-ylbenzene;2,6-dimethyl-3-propan-2-ylpyridine;methane;2-methyl-5-propan-2-ylpyrazine;2-methyl-5-propan-2-ylpyridin-3-ol;bis(1-methyl-5-propan-2-ylpyridin-2-one);2-methyl-5-propan-2-ylpyrimidine;5-propan-2-yl-1H-pyridin-2-one;2-propan-2-yl-5-(trifluoromethyl)pyrazine;5-propan-2-yl-2-(trifluoromethyl)pyridine?
The InChIKey is RAUXUYFHZRWYTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO.C11H16.C10H15N.C9H10F3N.3C9H13NO.C8H9F3N2.2C8H12N2.C8H11NO.2CH4/c1-8(2)9-3-6-11(13)12(7-9)10-4-5-10;1-8(2)11-6-5-9(3)7-10(11)4;1-7(2)10-6-5-8(3)11-9(10)4;1-6(2)7-3-4-8(13-5-7)9(10,11)12;1-6(2)8-4-9(11)7(3)10-5-8;2*1-7(2)8-4-5-9(11)10(3)6-8;1-5(2)6-3-13-7(4-12-6)8(9,10)11;1-6(2)8-4-9-7(3)10-5-8;1-6(2)8-5-9-7(3)4-10-8;1-6(2)7-3-4-8(10)9-5-7;;/h3,6-8,10H,4-5H2,1-2H3;5-8H,1-4H3;5-7H,1-4H3;3-6H,1-2H3;4-6,11H,1-3H3;2*4-7H,1-3H3;3-5H,1-2H3;2*4-6H,1-3H3;3-6H,1-2H3,(H,9,10);2*1H4.
What are the key properties of 1-cyclopropyl-5-propan-2-ylpyridin-2-one;2,4-dimethyl-1-propan-2-ylbenzene;2,6-dimethyl-3-propan-2-ylpyridine;methane;2-methyl-5-propan-2-ylpyrazine;2-methyl-5-propan-2-ylpyridin-3-ol;bis(1-methyl-5-propan-2-ylpyridin-2-one);2-methyl-5-propan-2-ylpyrimidine;5-propan-2-yl-1H-pyridin-2-one;2-propan-2-yl-5-(trifluoromethyl)pyrazine;5-propan-2-yl-2-(trifluoromethyl)pyridine?
1-cyclopropyl-5-propan-2-ylpyridin-2-one;2,4-dimethyl-1-propan-2-ylbenzene;2,6-dimethyl-3-propan-2-ylpyridine;methane;2-methyl-5-propan-2-ylpyrazine;2-methyl-5-propan-2-ylpyridin-3-ol;bis(1-methyl-5-propan-2-ylpyridin-2-one);2-methyl-5-propan-2-ylpyrimidine;5-propan-2-yl-1H-pyridin-2-one;2-propan-2-yl-5-(trifluoromethyl)pyrazine;5-propan-2-yl-2-(trifluoromethyl)pyridine has a molecular weight of 1749.37 g/mol, XLogP of 26.22, 12 rotatable bonds, 2 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-5-propan-2-ylpyridin-2-one;2,4-dimethyl-1-propan-2-ylbenzene;2,6-dimethyl-3-propan-2-ylpyridine;methane;2-methyl-5-propan-2-ylpyrazine;2-methyl-5-propan-2-ylpyridin-3-ol;bis(1-methyl-5-propan-2-ylpyridin-2-one);2-methyl-5-propan-2-ylpyrimidine;5-propan-2-yl-1H-pyridin-2-one;2-propan-2-yl-5-(trifluoromethyl)pyrazine;5-propan-2-yl-2-(trifluoromethyl)pyridine is sourced from PubChem (CID 160573310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).