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

C13H15NO — CID 58692968

IUPAC1-cyclohexa-1,5-dien-1-yl-2-(2H-pyridin-1-yl)ethanone
SMILESO=C(CN1C=CC=CC1)C1=CCCC=C1
InChIInChI=1S/C13H15NO/c15-13(12-7-3-1-4-8-12)11-14-9-5-2-6-10-14/h2-3,5-9H,1,4,10-11H2
InChIKeyWLGIGIMNXRELCY-UHFFFAOYSA-N
MW201.27 g/mol
LogP2.22
Rot. Bonds3

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

1-cyclohexa-1,5-dien-1-yl-2-(2H-pyridin-1-yl)ethanone (PubChem CID 58692968) has the molecular formula C13H15NO and a molecular weight of 201.27 g/mol. Its IUPAC name is 1-cyclohexa-1,5-dien-1-yl-2-(2H-pyridin-1-yl)ethanone.

Molecular Properties

Compound Name1-cyclohexa-1,5-dien-1-yl-2-(2H-pyridin-1-yl)ethanone
PubChem CID58692968
Molecular FormulaC13H15NO
Molecular Weight201.27 g/mol
Exact Mass201.12
IUPAC Name1-cyclohexa-1,5-dien-1-yl-2-(2H-pyridin-1-yl)ethanone
SMILESO=C(CN1C=CC=CC1)C1=CCCC=C1
InChIInChI=1S/C13H15NO/c15-13(12-7-3-1-4-8-12)11-14-9-5-2-6-10-14/h2-3,5-9H,1,4,10-11H2
InChIKeyWLGIGIMNXRELCY-UHFFFAOYSA-N
XLogP2.22
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexa-1,5-dien-1-yl-2-(2H-pyridin-1-yl)ethanone?
The IUPAC name of 1-cyclohexa-1,5-dien-1-yl-2-(2H-pyridin-1-yl)ethanone (CID 58692968) is 1-cyclohexa-1,5-dien-1-yl-2-(2H-pyridin-1-yl)ethanone.
What is the SMILES notation for 1-cyclohexa-1,5-dien-1-yl-2-(2H-pyridin-1-yl)ethanone?
The canonical SMILES for 1-cyclohexa-1,5-dien-1-yl-2-(2H-pyridin-1-yl)ethanone is O=C(CN1C=CC=CC1)C1=CCCC=C1.
What is the InChIKey of 1-cyclohexa-1,5-dien-1-yl-2-(2H-pyridin-1-yl)ethanone?
The InChIKey is WLGIGIMNXRELCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO/c15-13(12-7-3-1-4-8-12)11-14-9-5-2-6-10-14/h2-3,5-9H,1,4,10-11H2.
What are the key properties of 1-cyclohexa-1,5-dien-1-yl-2-(2H-pyridin-1-yl)ethanone?
1-cyclohexa-1,5-dien-1-yl-2-(2H-pyridin-1-yl)ethanone has a molecular weight of 201.27 g/mol, XLogP of 2.22, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexa-1,5-dien-1-yl-2-(2H-pyridin-1-yl)ethanone is sourced from PubChem (CID 58692968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).