1-(4-acetylcyclohexyl)ethanone;1-(4-acetylphenyl)ethanone;1-[4-(4-acetylphenyl)phenyl]ethanone;1-(5-acetylpyrazin-2-yl)ethanone;1-(6-acetylpyridazin-3-yl)ethanone;1-(6-acetyl-3-pyridinyl)ethanone;1-(2-acetylpyrimidin-5-yl)ethanone

C69H73N7O14 — CID 160769845

IUPAC1-(4-acetylcyclohexyl)ethanone;1-(4-acetylphenyl)ethanone;1-[4-(4-acetylphenyl)phenyl]ethanone;1-(5-acetylpyrazin-2-yl)ethanone;1-(6-acetylpyridazin-3-yl)ethanone;1-(6-acetyl-3-pyridinyl)ethanone;1-(2-acetylpyrimidin-5-yl)ethanone
SMILESCC(=O)C1CCC(C(C)=O)CC1.CC(=O)c1ccc(-c2ccc(C(C)=O)cc2)cc1.CC(=O)c1ccc(C(C)=O)cc1.CC(=O)c1ccc(C(C)=O)nc1.CC(=O)c1ccc(C(C)=O)nn1.CC(=O)c1cnc(C(C)=O)cn1.CC(=O)c1cnc(C(C)=O)nc1
InChIInChI=1S/C16H14O2.C10H16O2.C10H10O2.C9H9NO2.3C8H8N2O2/c1-11(17)13-3-7-15(8-4-13)16-9-5-14(6-10-16)12(2)18;2*1-7(11)9-3-5-10(6-4-9)8(2)12;1-6(11)8-3-4-9(7(2)12)10-5-8;1-5(11)7-3-10-8(4-9-7)6(2)12;1-5(11)7-3-9-8(6(2)12)10-4-7;1-5(11)7-3-4-8(6(2)12)10-9-7/h3-10H,1-2H3;9-10H,3-6H2,1-2H3;3-6H,1-2H3;3-5H,1-2H3;3*3-4H,1-2H3
InChIKeyRZDZFTXIBSSYJF-UHFFFAOYSA-N
MW1224.38 g/mol
LogP11.95
Rot. Bonds15

About 1-(4-acetylcyclohexyl)ethanone;1-(4-acetylphenyl)ethanone;1-[4-(4-acetylphenyl)phenyl]ethanone;1-(5-acetylpyrazin-2-yl)ethanone;1-(6-acetylpyridazin-3-yl)ethanone;1-(6-acetyl-3-pyridinyl)ethanone;1-(2-acetylpyrimidin-5-yl)ethanone

1-(4-acetylcyclohexyl)ethanone;1-(4-acetylphenyl)ethanone;1-[4-(4-acetylphenyl)phenyl]ethanone;1-(5-acetylpyrazin-2-yl)ethanone;1-(6-acetylpyridazin-3-yl)ethanone;1-(6-acetyl-3-pyridinyl)ethanone;1-(2-acetylpyrimidin-5-yl)ethanone (PubChem CID 160769845) has the molecular formula C69H73N7O14 and a molecular weight of 1224.38 g/mol. Its IUPAC name is 1-(4-acetylcyclohexyl)ethanone;1-(4-acetylphenyl)ethanone;1-[4-(4-acetylphenyl)phenyl]ethanone;1-(5-acetylpyrazin-2-yl)ethanone;1-(6-acetylpyridazin-3-yl)ethanone;1-(6-acetyl-3-pyridinyl)ethanone;1-(2-acetylpyrimidin-5-yl)ethanone.

Molecular Properties

Compound Name1-(4-acetylcyclohexyl)ethanone;1-(4-acetylphenyl)ethanone;1-[4-(4-acetylphenyl)phenyl]ethanone;1-(5-acetylpyrazin-2-yl)ethanone;1-(6-acetylpyridazin-3-yl)ethanone;1-(6-acetyl-3-pyridinyl)ethanone;1-(2-acetylpyrimidin-5-yl)ethanone
PubChem CID160769845
Molecular FormulaC69H73N7O14
Molecular Weight1224.38 g/mol
Exact Mass1223.52
IUPAC Name1-(4-acetylcyclohexyl)ethanone;1-(4-acetylphenyl)ethanone;1-[4-(4-acetylphenyl)phenyl]ethanone;1-(5-acetylpyrazin-2-yl)ethanone;1-(6-acetylpyridazin-3-yl)ethanone;1-(6-acetyl-3-pyridinyl)ethanone;1-(2-acetylpyrimidin-5-yl)ethanone
SMILESCC(=O)C1CCC(C(C)=O)CC1.CC(=O)c1ccc(-c2ccc(C(C)=O)cc2)cc1.CC(=O)c1ccc(C(C)=O)cc1.CC(=O)c1ccc(C(C)=O)nc1.CC(=O)c1ccc(C(C)=O)nn1.CC(=O)c1cnc(C(C)=O)cn1.CC(=O)c1cnc(C(C)=O)nc1
InChIInChI=1S/C16H14O2.C10H16O2.C10H10O2.C9H9NO2.3C8H8N2O2/c1-11(17)13-3-7-15(8-4-13)16-9-5-14(6-10-16)12(2)18;2*1-7(11)9-3-5-10(6-4-9)8(2)12;1-6(11)8-3-4-9(7(2)12)10-5-8;1-5(11)7-3-10-8(4-9-7)6(2)12;1-5(11)7-3-9-8(6(2)12)10-4-7;1-5(11)7-3-4-8(6(2)12)10-9-7/h3-10H,1-2H3;9-10H,3-6H2,1-2H3;3-6H,1-2H3;3-5H,1-2H3;3*3-4H,1-2H3
InChIKeyRZDZFTXIBSSYJF-UHFFFAOYSA-N
XLogP11.95
TPSA329.21 Ų
H-Bond Donors
H-Bond Acceptors21
Rotatable Bonds15
Heavy Atoms90
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001224.38
LogP ≤ 511.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1021

Analyze 1-(4-acetylcyclohexyl)ethanone;1-(4-acetylphenyl)ethanone;1-[4-(4-acetylphenyl)phenyl]ethanone;1-(5-acetylpyrazin-2-yl)ethanone;1-(6-acetylpyridazin-3-yl)ethanone;1-(6-acetyl-3-pyridinyl)ethanone;1-(2-acetylpyrimidin-5-yl)ethanone with MolForge

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Related Compounds

Bis[5-[2-(4-fluoropyrimidin-2-yl)piperazin-1-yl]-4-methyl-6-phenylpyridazin-3-yl]methanone
CID 89801766
Bis[5-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]-4-methyl-6-phenylpyridazin-3-yl]methanone
CID 118656352
Bis((4,6-dimethylpyrimidin-2-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone);tris((6-methylpyridazin-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone);pyrazin-2-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone
CID 159890330
1-[3-Amino-6-(2-fluoro-4-methylphenyl)-2-pyridinyl]-2-[4-(6-amino-2-methylpyrimidin-4-yl)-3-pyridinyl]ethanone
CID 160605830
5-(4-Methylphenacyl)-3-(2-pyridyl)-6-phenyl-1,2,4-triazine
CID 129738514
1-{6-[6-(1-{4-[2-(2,5-dimethyl-1H-pyrrol-1-yl)pyrimidin-5-yl]phenyl}-1,2-dimethylpropyl)pyridin-3-yl]pyridazin-3-yl}ethanone
CID 59393652
[4-[3-(5-Methylpyridine-2-carbonyl)pyrazolo[1,5-a]pyrimidin-7-yl]-2-pyridinyl]-phenylmethanone
CID 60046551
[4-[3-(6-Methylpyridine-2-carbonyl)pyrazolo[1,5-a]pyrimidin-7-yl]-2-pyridinyl]-phenylmethanone
CID 60046553
3-(2-benzoyl-4-pyridinyl)-N,N-dimethylprop-2-enamide;[4-[3-(6-methylpyridine-2-carbonyl)pyrazolo[1,5-a]pyrimidin-7-yl]-2-pyridinyl]-phenylmethanone
CID 69754574
3-(2-benzoyl-4-pyridinyl)-N,N-dimethylprop-2-enamide;[4-[3-(5-methylpyridine-2-carbonyl)pyrazolo[1,5-a]pyrimidin-7-yl]-2-pyridinyl]-phenylmethanone
CID 69756333
3-(5-oxo-8-propan-2-yl-7,8-dihydro-6H-quinazolin-6-yl)-7-(5-oxo-8-propan-2-yl-7,8-dihydro-6H-quinolin-2-yl)-8-propan-2-yl-7,8-dihydro-6H-cinnolin-5-one
CID 130251264
6-[2-[8-oxo-4-[2-(8-oxo-5H-pyrido[2,3-b]pyrazin-3-yl)propyl]-7H-1,7-naphthyridin-2-yl]propyl]-2-propan-2-yl-8H-pyrido[2,3-d]pyrimidin-5-one
CID 139516250

Frequently Asked Questions

What is the IUPAC name of 1-(4-acetylcyclohexyl)ethanone;1-(4-acetylphenyl)ethanone;1-[4-(4-acetylphenyl)phenyl]ethanone;1-(5-acetylpyrazin-2-yl)ethanone;1-(6-acetylpyridazin-3-yl)ethanone;1-(6-acetyl-3-pyridinyl)ethanone;1-(2-acetylpyrimidin-5-yl)ethanone?
The IUPAC name of 1-(4-acetylcyclohexyl)ethanone;1-(4-acetylphenyl)ethanone;1-[4-(4-acetylphenyl)phenyl]ethanone;1-(5-acetylpyrazin-2-yl)ethanone;1-(6-acetylpyridazin-3-yl)ethanone;1-(6-acetyl-3-pyridinyl)ethanone;1-(2-acetylpyrimidin-5-yl)ethanone (CID 160769845) is 1-(4-acetylcyclohexyl)ethanone;1-(4-acetylphenyl)ethanone;1-[4-(4-acetylphenyl)phenyl]ethanone;1-(5-acetylpyrazin-2-yl)ethanone;1-(6-acetylpyridazin-3-yl)ethanone;1-(6-acetyl-3-pyridinyl)ethanone;1-(2-acetylpyrimidin-5-yl)ethanone.
What is the SMILES notation for 1-(4-acetylcyclohexyl)ethanone;1-(4-acetylphenyl)ethanone;1-[4-(4-acetylphenyl)phenyl]ethanone;1-(5-acetylpyrazin-2-yl)ethanone;1-(6-acetylpyridazin-3-yl)ethanone;1-(6-acetyl-3-pyridinyl)ethanone;1-(2-acetylpyrimidin-5-yl)ethanone?
The canonical SMILES for 1-(4-acetylcyclohexyl)ethanone;1-(4-acetylphenyl)ethanone;1-[4-(4-acetylphenyl)phenyl]ethanone;1-(5-acetylpyrazin-2-yl)ethanone;1-(6-acetylpyridazin-3-yl)ethanone;1-(6-acetyl-3-pyridinyl)ethanone;1-(2-acetylpyrimidin-5-yl)ethanone is CC(=O)C1CCC(C(C)=O)CC1.CC(=O)c1ccc(-c2ccc(C(C)=O)cc2)cc1.CC(=O)c1ccc(C(C)=O)cc1.CC(=O)c1ccc(C(C)=O)nc1.CC(=O)c1ccc(C(C)=O)nn1.CC(=O)c1cnc(C(C)=O)cn1.CC(=O)c1cnc(C(C)=O)nc1.
What is the InChIKey of 1-(4-acetylcyclohexyl)ethanone;1-(4-acetylphenyl)ethanone;1-[4-(4-acetylphenyl)phenyl]ethanone;1-(5-acetylpyrazin-2-yl)ethanone;1-(6-acetylpyridazin-3-yl)ethanone;1-(6-acetyl-3-pyridinyl)ethanone;1-(2-acetylpyrimidin-5-yl)ethanone?
The InChIKey is RZDZFTXIBSSYJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14O2.C10H16O2.C10H10O2.C9H9NO2.3C8H8N2O2/c1-11(17)13-3-7-15(8-4-13)16-9-5-14(6-10-16)12(2)18;2*1-7(11)9-3-5-10(6-4-9)8(2)12;1-6(11)8-3-4-9(7(2)12)10-5-8;1-5(11)7-3-10-8(4-9-7)6(2)12;1-5(11)7-3-9-8(6(2)12)10-4-7;1-5(11)7-3-4-8(6(2)12)10-9-7/h3-10H,1-2H3;9-10H,3-6H2,1-2H3;3-6H,1-2H3;3-5H,1-2H3;3*3-4H,1-2H3.
What are the key properties of 1-(4-acetylcyclohexyl)ethanone;1-(4-acetylphenyl)ethanone;1-[4-(4-acetylphenyl)phenyl]ethanone;1-(5-acetylpyrazin-2-yl)ethanone;1-(6-acetylpyridazin-3-yl)ethanone;1-(6-acetyl-3-pyridinyl)ethanone;1-(2-acetylpyrimidin-5-yl)ethanone?
1-(4-acetylcyclohexyl)ethanone;1-(4-acetylphenyl)ethanone;1-[4-(4-acetylphenyl)phenyl]ethanone;1-(5-acetylpyrazin-2-yl)ethanone;1-(6-acetylpyridazin-3-yl)ethanone;1-(6-acetyl-3-pyridinyl)ethanone;1-(2-acetylpyrimidin-5-yl)ethanone has a molecular weight of 1224.38 g/mol, XLogP of 11.95, 15 rotatable bonds, 0 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-acetylcyclohexyl)ethanone;1-(4-acetylphenyl)ethanone;1-[4-(4-acetylphenyl)phenyl]ethanone;1-(5-acetylpyrazin-2-yl)ethanone;1-(6-acetylpyridazin-3-yl)ethanone;1-(6-acetyl-3-pyridinyl)ethanone;1-(2-acetylpyrimidin-5-yl)ethanone is sourced from PubChem (CID 160769845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).