1-(6-methyl-3-pyridinyl)-3-(oxan-2-yl)propan-1-one

C14H19NO2 — CID 114971598

IUPAC1-(6-methyl-3-pyridinyl)-3-(oxan-2-yl)propan-1-one
SMILESCc1ccc(C(=O)CCC2CCCCO2)cn1
InChIInChI=1S/C14H19NO2/c1-11-5-6-12(10-15-11)14(16)8-7-13-4-2-3-9-17-13/h5-6,10,13H,2-4,7-9H2,1H3
InChIKeyJQAFULMCZBHBRY-UHFFFAOYSA-N
MW233.31 g/mol
LogP2.92
Rot. Bonds4

About 1-(6-methyl-3-pyridinyl)-3-(oxan-2-yl)propan-1-one

1-(6-methyl-3-pyridinyl)-3-(oxan-2-yl)propan-1-one (PubChem CID 114971598) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is 1-(6-methyl-3-pyridinyl)-3-(oxan-2-yl)propan-1-one.

Molecular Properties

Compound Name1-(6-methyl-3-pyridinyl)-3-(oxan-2-yl)propan-1-one
PubChem CID114971598
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC Name1-(6-methyl-3-pyridinyl)-3-(oxan-2-yl)propan-1-one
SMILESCc1ccc(C(=O)CCC2CCCCO2)cn1
InChIInChI=1S/C14H19NO2/c1-11-5-6-12(10-15-11)14(16)8-7-13-4-2-3-9-17-13/h5-6,10,13H,2-4,7-9H2,1H3
InChIKeyJQAFULMCZBHBRY-UHFFFAOYSA-N
XLogP2.92
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-ethoxyphenyl)-3-(oxan-2-yl)propan-1-one
CID 63952921
3-(oxan-2-yl)-1-quinolin-3-ylpropan-1-one
CID 114963138
3-(oxan-2-yl)-1-(4-propan-2-ylphenyl)propan-1-one
CID 63953733
3-(oxan-2-yl)-1-(4-propylphenyl)propan-1-one
CID 63952320
6-methyl-N-[4-(oxolan-2-yl)butyl]pyridine-3-carboxamide
CID 135119031
1-[4-(2-methylpropyl)phenyl]-3-(oxan-2-yl)propan-1-one
CID 63952520
1-[(6-methyl-3-pyridinyl)methyl]-3-[2-[(2R)-oxan-2-yl]ethyl]urea
CID 97346210
1-(3-amino-4-methylphenyl)-3-(oxolan-2-yl)propan-1-one
CID 116550972
1-(2,3-dihydro-1H-inden-5-yl)-3-(oxan-2-yl)propan-1-one
CID 63953931
1-(3,4-dichlorophenyl)-3-(oxolan-2-yl)propan-1-one
CID 65155022
1-(3-methylphenyl)-3-(oxolan-2-yl)propan-1-one
CID 65167153
3-(oxan-2-yl)-1-(1H-pyrrol-3-yl)propan-1-one
CID 63952125

Frequently Asked Questions

What is the IUPAC name of 1-(6-methyl-3-pyridinyl)-3-(oxan-2-yl)propan-1-one?
The IUPAC name of 1-(6-methyl-3-pyridinyl)-3-(oxan-2-yl)propan-1-one (CID 114971598) is 1-(6-methyl-3-pyridinyl)-3-(oxan-2-yl)propan-1-one.
What is the SMILES notation for 1-(6-methyl-3-pyridinyl)-3-(oxan-2-yl)propan-1-one?
The canonical SMILES for 1-(6-methyl-3-pyridinyl)-3-(oxan-2-yl)propan-1-one is Cc1ccc(C(=O)CCC2CCCCO2)cn1.
What is the InChIKey of 1-(6-methyl-3-pyridinyl)-3-(oxan-2-yl)propan-1-one?
The InChIKey is JQAFULMCZBHBRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2/c1-11-5-6-12(10-15-11)14(16)8-7-13-4-2-3-9-17-13/h5-6,10,13H,2-4,7-9H2,1H3.
What are the key properties of 1-(6-methyl-3-pyridinyl)-3-(oxan-2-yl)propan-1-one?
1-(6-methyl-3-pyridinyl)-3-(oxan-2-yl)propan-1-one has a molecular weight of 233.31 g/mol, XLogP of 2.92, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-methyl-3-pyridinyl)-3-(oxan-2-yl)propan-1-one is sourced from PubChem (CID 114971598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).