(4-methoxyoxan-4-yl)-(6-methyl-3-pyridinyl)methanone

C13H17NO3 — CID 116748710

IUPAC(4-methoxyoxan-4-yl)-(6-methyl-3-pyridinyl)methanone
SMILESCOC1(C(=O)c2ccc(C)nc2)CCOCC1
InChIInChI=1S/C13H17NO3/c1-10-3-4-11(9-14-10)12(15)13(16-2)5-7-17-8-6-13/h3-4,9H,5-8H2,1-2H3
InChIKeyNGLAIICHEQMJQU-UHFFFAOYSA-N
MW235.28 g/mol
LogP1.77
Rot. Bonds3

About (4-methoxyoxan-4-yl)-(6-methyl-3-pyridinyl)methanone

(4-methoxyoxan-4-yl)-(6-methyl-3-pyridinyl)methanone (PubChem CID 116748710) has the molecular formula C13H17NO3 and a molecular weight of 235.28 g/mol. Its IUPAC name is (4-methoxyoxan-4-yl)-(6-methyl-3-pyridinyl)methanone.

Molecular Properties

Compound Name(4-methoxyoxan-4-yl)-(6-methyl-3-pyridinyl)methanone
PubChem CID116748710
Molecular FormulaC13H17NO3
Molecular Weight235.28 g/mol
Exact Mass235.12
IUPAC Name(4-methoxyoxan-4-yl)-(6-methyl-3-pyridinyl)methanone
SMILESCOC1(C(=O)c2ccc(C)nc2)CCOCC1
InChIInChI=1S/C13H17NO3/c1-10-3-4-11(9-14-10)12(15)13(16-2)5-7-17-8-6-13/h3-4,9H,5-8H2,1-2H3
InChIKeyNGLAIICHEQMJQU-UHFFFAOYSA-N
XLogP1.77
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.28
LogP ≤ 51.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4-methoxyoxan-4-yl)-(6-methyl-3-pyridinyl)methanone?
The IUPAC name of (4-methoxyoxan-4-yl)-(6-methyl-3-pyridinyl)methanone (CID 116748710) is (4-methoxyoxan-4-yl)-(6-methyl-3-pyridinyl)methanone.
What is the SMILES notation for (4-methoxyoxan-4-yl)-(6-methyl-3-pyridinyl)methanone?
The canonical SMILES for (4-methoxyoxan-4-yl)-(6-methyl-3-pyridinyl)methanone is COC1(C(=O)c2ccc(C)nc2)CCOCC1.
What is the InChIKey of (4-methoxyoxan-4-yl)-(6-methyl-3-pyridinyl)methanone?
The InChIKey is NGLAIICHEQMJQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO3/c1-10-3-4-11(9-14-10)12(15)13(16-2)5-7-17-8-6-13/h3-4,9H,5-8H2,1-2H3.
What are the key properties of (4-methoxyoxan-4-yl)-(6-methyl-3-pyridinyl)methanone?
(4-methoxyoxan-4-yl)-(6-methyl-3-pyridinyl)methanone has a molecular weight of 235.28 g/mol, XLogP of 1.77, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxyoxan-4-yl)-(6-methyl-3-pyridinyl)methanone is sourced from PubChem (CID 116748710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).