1-(3,4-dihydro-2H-pyran-6-yl)-3-pyridin-3-ylpropan-1-one

C13H15NO2 — CID 102648686

IUPAC1-(3,4-dihydro-2H-pyran-6-yl)-3-pyridin-3-ylpropan-1-one
SMILESO=C(CCc1cccnc1)C1=CCCCO1
InChIInChI=1S/C13H15NO2/c15-12(13-5-1-2-9-16-13)7-6-11-4-3-8-14-10-11/h3-5,8,10H,1-2,6-7,9H2
InChIKeyRNWPCOBABMLKRG-UHFFFAOYSA-N
MW217.27 g/mol
LogP2.28
Rot. Bonds4

About 1-(3,4-dihydro-2H-pyran-6-yl)-3-pyridin-3-ylpropan-1-one

1-(3,4-dihydro-2H-pyran-6-yl)-3-pyridin-3-ylpropan-1-one (PubChem CID 102648686) has the molecular formula C13H15NO2 and a molecular weight of 217.27 g/mol. Its IUPAC name is 1-(3,4-dihydro-2H-pyran-6-yl)-3-pyridin-3-ylpropan-1-one.

Molecular Properties

Compound Name1-(3,4-dihydro-2H-pyran-6-yl)-3-pyridin-3-ylpropan-1-one
PubChem CID102648686
Molecular FormulaC13H15NO2
Molecular Weight217.27 g/mol
Exact Mass217.11
IUPAC Name1-(3,4-dihydro-2H-pyran-6-yl)-3-pyridin-3-ylpropan-1-one
SMILESO=C(CCc1cccnc1)C1=CCCCO1
InChIInChI=1S/C13H15NO2/c15-12(13-5-1-2-9-16-13)7-6-11-4-3-8-14-10-11/h3-5,8,10H,1-2,6-7,9H2
InChIKeyRNWPCOBABMLKRG-UHFFFAOYSA-N
XLogP2.28
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(cyclohexen-1-yl)-3-pyridin-3-ylpropan-1-one
CID 106656072
3-pyridin-3-ylpropanoic acid;hydrochloride
CID 66648902
(111C)methyl 3-pyridin-3-ylpropanoate
CID 11816043
1-(2-chlorophenyl)-3-pyridin-3-ylpropan-1-one
CID 105081413
3-pyridin-3-yl-1-quinolin-3-ylpropan-1-one
CID 105080957
2-oxo-4-pyridin-3-ylbutanoic acid
CID 12014964
1-(oxolan-3-yl)-3-pyridin-3-ylpropan-1-one
CID 105099703
1-amino-4-pyridin-3-ylbutan-2-one
CID 82414894
1,1,1-trifluoro-4-pyridin-3-ylbutan-2-one
CID 129453005
1-(5-bromo-2-pyridinyl)-3-pyridin-3-ylpropan-1-one
CID 167534942
1-(5-methyl-3-pyridinyl)-3-pyridin-3-ylpropan-1-one
CID 105122781
3-pyridin-3-yl-1-[4-(trifluoromethyl)-3-pyridinyl]propan-1-one
CID 102709606

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydro-2H-pyran-6-yl)-3-pyridin-3-ylpropan-1-one?
The IUPAC name of 1-(3,4-dihydro-2H-pyran-6-yl)-3-pyridin-3-ylpropan-1-one (CID 102648686) is 1-(3,4-dihydro-2H-pyran-6-yl)-3-pyridin-3-ylpropan-1-one.
What is the SMILES notation for 1-(3,4-dihydro-2H-pyran-6-yl)-3-pyridin-3-ylpropan-1-one?
The canonical SMILES for 1-(3,4-dihydro-2H-pyran-6-yl)-3-pyridin-3-ylpropan-1-one is O=C(CCc1cccnc1)C1=CCCCO1.
What is the InChIKey of 1-(3,4-dihydro-2H-pyran-6-yl)-3-pyridin-3-ylpropan-1-one?
The InChIKey is RNWPCOBABMLKRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO2/c15-12(13-5-1-2-9-16-13)7-6-11-4-3-8-14-10-11/h3-5,8,10H,1-2,6-7,9H2.
What are the key properties of 1-(3,4-dihydro-2H-pyran-6-yl)-3-pyridin-3-ylpropan-1-one?
1-(3,4-dihydro-2H-pyran-6-yl)-3-pyridin-3-ylpropan-1-one has a molecular weight of 217.27 g/mol, XLogP of 2.28, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dihydro-2H-pyran-6-yl)-3-pyridin-3-ylpropan-1-one is sourced from PubChem (CID 102648686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).