1-(4-cyclobutylphenyl)-2-pyridin-3-ylethanone

C17H17NO — CID 116505569

IUPAC1-(4-cyclobutylphenyl)-2-pyridin-3-ylethanone
SMILESO=C(Cc1cccnc1)c1ccc(C2CCC2)cc1
InChIInChI=1S/C17H17NO/c19-17(11-13-3-2-10-18-12-13)16-8-6-15(7-9-16)14-4-1-5-14/h2-3,6-10,12,14H,1,4-5,11H2
InChIKeyIAJMZXJLSOGKOF-UHFFFAOYSA-N
MW251.33 g/mol
LogP3.77
Rot. Bonds4

About 1-(4-cyclobutylphenyl)-2-pyridin-3-ylethanone

1-(4-cyclobutylphenyl)-2-pyridin-3-ylethanone (PubChem CID 116505569) has the molecular formula C17H17NO and a molecular weight of 251.33 g/mol. Its IUPAC name is 1-(4-cyclobutylphenyl)-2-pyridin-3-ylethanone.

Molecular Properties

Compound Name1-(4-cyclobutylphenyl)-2-pyridin-3-ylethanone
PubChem CID116505569
Molecular FormulaC17H17NO
Molecular Weight251.33 g/mol
Exact Mass251.13
IUPAC Name1-(4-cyclobutylphenyl)-2-pyridin-3-ylethanone
SMILESO=C(Cc1cccnc1)c1ccc(C2CCC2)cc1
InChIInChI=1S/C17H17NO/c19-17(11-13-3-2-10-18-12-13)16-8-6-15(7-9-16)14-4-1-5-14/h2-3,6-10,12,14H,1,4-5,11H2
InChIKeyIAJMZXJLSOGKOF-UHFFFAOYSA-N
XLogP3.77
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-cyclohexylphenyl)-2-pyridin-4-ylethanone
CID 22282352
2-pyridin-3-yl-1-pyrimidin-5-ylethanone
CID 62553059
1-[3-[1-(4-cyclopentylbenzoyl)pyrrolidin-3-yl]piperidin-1-yl]-2-pyridin-3-ylethanone
CID 166328161
1-(4-ethylsulfanylphenyl)-2-pyridin-3-ylethanone
CID 106847990
1-(3,4-difluorophenyl)-2-pyridin-3-ylethanone
CID 62800700
1-(3,4-dimethylphenyl)-2-pyridin-3-ylethanone
CID 62548685
1-(4-cyclobutylphenyl)-2-(2,3-difluorophenyl)ethanone
CID 115807934
4-chloro-1-(4-cyclobutylphenyl)butan-1-one
CID 116505632
1-(4-cyclopropylphenyl)-N-(pyridin-3-ylmethyl)methanamine
CID 79978828
N-(pyridin-3-ylmethyl)cyclobutanecarboxamide
CID 25236359
1-(4-bromo-3-fluorophenyl)-2-pyridin-3-ylethanone
CID 115799223
2-[(2-pyridin-3-ylacetyl)amino]cyclopentane-1-carboxylic acid
CID 64813919

Frequently Asked Questions

What is the IUPAC name of 1-(4-cyclobutylphenyl)-2-pyridin-3-ylethanone?
The IUPAC name of 1-(4-cyclobutylphenyl)-2-pyridin-3-ylethanone (CID 116505569) is 1-(4-cyclobutylphenyl)-2-pyridin-3-ylethanone.
What is the SMILES notation for 1-(4-cyclobutylphenyl)-2-pyridin-3-ylethanone?
The canonical SMILES for 1-(4-cyclobutylphenyl)-2-pyridin-3-ylethanone is O=C(Cc1cccnc1)c1ccc(C2CCC2)cc1.
What is the InChIKey of 1-(4-cyclobutylphenyl)-2-pyridin-3-ylethanone?
The InChIKey is IAJMZXJLSOGKOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO/c19-17(11-13-3-2-10-18-12-13)16-8-6-15(7-9-16)14-4-1-5-14/h2-3,6-10,12,14H,1,4-5,11H2.
What are the key properties of 1-(4-cyclobutylphenyl)-2-pyridin-3-ylethanone?
1-(4-cyclobutylphenyl)-2-pyridin-3-ylethanone has a molecular weight of 251.33 g/mol, XLogP of 3.77, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-cyclobutylphenyl)-2-pyridin-3-ylethanone is sourced from PubChem (CID 116505569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).