1-(3-cyclohexa-1,5-dien-1-yl-5-pyridin-2-ylphenyl)ethanone

C19H17NO — CID 163743878

IUPAC1-(3-cyclohexa-1,5-dien-1-yl-5-pyridin-2-ylphenyl)ethanone
SMILESCC(=O)c1cc(C2=CCCC=C2)cc(-c2ccccn2)c1
InChIInChI=1S/C19H17NO/c1-14(21)16-11-17(15-7-3-2-4-8-15)13-18(12-16)19-9-5-6-10-20-19/h3,5-13H,2,4H2,1H3
InChIKeyLKDDXEFDNYEWIH-UHFFFAOYSA-N
MW275.35 g/mol
LogP4.68
Rot. Bonds3

About 1-(3-cyclohexa-1,5-dien-1-yl-5-pyridin-2-ylphenyl)ethanone

1-(3-cyclohexa-1,5-dien-1-yl-5-pyridin-2-ylphenyl)ethanone (PubChem CID 163743878) has the molecular formula C19H17NO and a molecular weight of 275.35 g/mol. Its IUPAC name is 1-(3-cyclohexa-1,5-dien-1-yl-5-pyridin-2-ylphenyl)ethanone.

Molecular Properties

Compound Name1-(3-cyclohexa-1,5-dien-1-yl-5-pyridin-2-ylphenyl)ethanone
PubChem CID163743878
Molecular FormulaC19H17NO
Molecular Weight275.35 g/mol
Exact Mass275.13
IUPAC Name1-(3-cyclohexa-1,5-dien-1-yl-5-pyridin-2-ylphenyl)ethanone
SMILESCC(=O)c1cc(C2=CCCC=C2)cc(-c2ccccn2)c1
InChIInChI=1S/C19H17NO/c1-14(21)16-11-17(15-7-3-2-4-8-15)13-18(12-16)19-9-5-6-10-20-19/h3,5-13H,2,4H2,1H3
InChIKeyLKDDXEFDNYEWIH-UHFFFAOYSA-N
XLogP4.68
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 54.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-cyclohexa-1,5-dien-1-ylphenyl)ethanone
CID 126694355
(2-cyclohexa-1,5-dien-1-yl-4-pyridin-2-ylphenyl) trifluoromethanesulfonate
CID 145440528
3-cyclohexa-1,5-dien-1-yl-N-[3-(5-phenyl-1,3-thiazol-2-yl)phenyl]-5-pyridin-2-ylaniline
CID 90070868
4-cyclohexa-1,5-dien-1-yl-2-(3-methylphenyl)pyridine
CID 144573791
3-pyridin-2-ylbenzoate
CID 7020368
1-cyclohexa-1,5-dien-1-yl-3-(2-phenylphenyl)benzene
CID 145066213
2-phenylpyridine;propan-2-one
CID 174845023
2-(3-cyclohexa-1,5-dien-1-ylphenyl)-4,6-bis(3-phenylphenyl)-1,3,5-triazine
CID 144909896
4-(3-cyclohexa-1,5-dien-1-yl-5-phenylphenyl)-6-(3,5-diphenylphenyl)-2-pyridin-3-ylpyrimidine
CID 145280952
4-(4-cyclohexa-1,5-dien-1-ylphenyl)-2-(4-phenylphenyl)pyridine
CID 138636514
2-cyclohexa-1,5-dien-1-ylpyrimidine
CID 19608834
(E)-3-(3-pyridin-2-ylphenyl)but-2-enoic acid
CID 82544253

Frequently Asked Questions

What is the IUPAC name of 1-(3-cyclohexa-1,5-dien-1-yl-5-pyridin-2-ylphenyl)ethanone?
The IUPAC name of 1-(3-cyclohexa-1,5-dien-1-yl-5-pyridin-2-ylphenyl)ethanone (CID 163743878) is 1-(3-cyclohexa-1,5-dien-1-yl-5-pyridin-2-ylphenyl)ethanone.
What is the SMILES notation for 1-(3-cyclohexa-1,5-dien-1-yl-5-pyridin-2-ylphenyl)ethanone?
The canonical SMILES for 1-(3-cyclohexa-1,5-dien-1-yl-5-pyridin-2-ylphenyl)ethanone is CC(=O)c1cc(C2=CCCC=C2)cc(-c2ccccn2)c1.
What is the InChIKey of 1-(3-cyclohexa-1,5-dien-1-yl-5-pyridin-2-ylphenyl)ethanone?
The InChIKey is LKDDXEFDNYEWIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17NO/c1-14(21)16-11-17(15-7-3-2-4-8-15)13-18(12-16)19-9-5-6-10-20-19/h3,5-13H,2,4H2,1H3.
What are the key properties of 1-(3-cyclohexa-1,5-dien-1-yl-5-pyridin-2-ylphenyl)ethanone?
1-(3-cyclohexa-1,5-dien-1-yl-5-pyridin-2-ylphenyl)ethanone has a molecular weight of 275.35 g/mol, XLogP of 4.68, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-cyclohexa-1,5-dien-1-yl-5-pyridin-2-ylphenyl)ethanone is sourced from PubChem (CID 163743878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).