1-(6-prop-1-en-2-yl-2-pyridinyl)propan-1-one

C11H13NO — CID 123520554

IUPAC1-(6-prop-1-en-2-yl-2-pyridinyl)propan-1-one
SMILESC=C(C)c1cccc(C(=O)CC)n1
InChIInChI=1S/C11H13NO/c1-4-11(13)10-7-5-6-9(12-10)8(2)3/h5-7H,2,4H2,1,3H3
InChIKeyPIUCYXOFCRBALY-UHFFFAOYSA-N
MW175.23 g/mol
LogP2.71
Rot. Bonds3

About 1-(6-prop-1-en-2-yl-2-pyridinyl)propan-1-one

1-(6-prop-1-en-2-yl-2-pyridinyl)propan-1-one (PubChem CID 123520554) has the molecular formula C11H13NO and a molecular weight of 175.23 g/mol. Its IUPAC name is 1-(6-prop-1-en-2-yl-2-pyridinyl)propan-1-one.

Molecular Properties

Compound Name1-(6-prop-1-en-2-yl-2-pyridinyl)propan-1-one
PubChem CID123520554
Molecular FormulaC11H13NO
Molecular Weight175.23 g/mol
Exact Mass175.10
IUPAC Name1-(6-prop-1-en-2-yl-2-pyridinyl)propan-1-one
SMILESC=C(C)c1cccc(C(=O)CC)n1
InChIInChI=1S/C11H13NO/c1-4-11(13)10-7-5-6-9(12-10)8(2)3/h5-7H,2,4H2,1,3H3
InChIKeyPIUCYXOFCRBALY-UHFFFAOYSA-N
XLogP2.71
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.23
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(6-pentanoyl-2-pyridinyl)pentan-1-one
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ethane;1-ethyl-2-methyl-3-propylbenzene;1-(6-prop-1-en-2-yl-2-pyridinyl)ethanone
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4-methyl-1-(6-methyl-2-pyridinyl)pent-4-en-1-one
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1-(5,6-diphenylpyrazin-2-yl)propan-1-one
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1-pyridin-2-ylethanone;1-pyridin-2-ylpropan-1-one
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1-(1,10-phenanthrolin-2-yl)propan-1-one
CID 71741494
butane;ethane;1-pyridin-2-ylpropan-1-one
CID 144892300
N-[(E)-1-[6-[(E)-C-methyl-N-(propanoylamino)carbonimidoyl]-2-pyridinyl]ethylideneamino]propanamide;dihydrochloride
CID 172954645
1-[6-[(Z)-N-hydroxy-C-methylcarbonimidoyl]-2-pyridinyl]ethanone
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ethane;1-[6-[(4-propan-2-ylpiperazin-1-yl)methyl]-2-pyridinyl]propan-1-one
CID 176942108
1-(2-tert-butylpyrimidin-4-yl)propan-1-one
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1-(2-hydroxyphenyl)-3-[6-[3-(2-hydroxyphenyl)-3-oxopropanoyl]-2-pyridinyl]propane-1,3-dione
CID 102441165

Frequently Asked Questions

What is the IUPAC name of 1-(6-prop-1-en-2-yl-2-pyridinyl)propan-1-one?
The IUPAC name of 1-(6-prop-1-en-2-yl-2-pyridinyl)propan-1-one (CID 123520554) is 1-(6-prop-1-en-2-yl-2-pyridinyl)propan-1-one.
What is the SMILES notation for 1-(6-prop-1-en-2-yl-2-pyridinyl)propan-1-one?
The canonical SMILES for 1-(6-prop-1-en-2-yl-2-pyridinyl)propan-1-one is C=C(C)c1cccc(C(=O)CC)n1.
What is the InChIKey of 1-(6-prop-1-en-2-yl-2-pyridinyl)propan-1-one?
The InChIKey is PIUCYXOFCRBALY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO/c1-4-11(13)10-7-5-6-9(12-10)8(2)3/h5-7H,2,4H2,1,3H3.
What are the key properties of 1-(6-prop-1-en-2-yl-2-pyridinyl)propan-1-one?
1-(6-prop-1-en-2-yl-2-pyridinyl)propan-1-one has a molecular weight of 175.23 g/mol, XLogP of 2.71, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-prop-1-en-2-yl-2-pyridinyl)propan-1-one is sourced from PubChem (CID 123520554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).