9-methoxy-2-methyl-5,7-dihydro-[2]benzoxepino[5,4-c]pyridin-3-one

C15H15NO3 — CID 140917431

IUPAC9-methoxy-2-methyl-5,7-dihydro-[2]benzoxepino[5,4-c]pyridin-3-one
SMILESCOc1ccc2c(c1)COCc1cc(=O)n(C)cc1-2
InChIInChI=1S/C15H15NO3/c1-16-7-14-11(6-15(16)17)9-19-8-10-5-12(18-2)3-4-13(10)14/h3-7H,8-9H2,1-2H3
InChIKeyXLERYPGETMKTJX-UHFFFAOYSA-N
MW257.29 g/mol
LogP2.09
Rot. Bonds1

About 9-methoxy-2-methyl-5,7-dihydro-[2]benzoxepino[5,4-c]pyridin-3-one

9-methoxy-2-methyl-5,7-dihydro-[2]benzoxepino[5,4-c]pyridin-3-one (PubChem CID 140917431) has the molecular formula C15H15NO3 and a molecular weight of 257.29 g/mol. Its IUPAC name is 9-methoxy-2-methyl-5,7-dihydro-[2]benzoxepino[5,4-c]pyridin-3-one.

Molecular Properties

Compound Name9-methoxy-2-methyl-5,7-dihydro-[2]benzoxepino[5,4-c]pyridin-3-one
PubChem CID140917431
Molecular FormulaC15H15NO3
Molecular Weight257.29 g/mol
Exact Mass257.11
IUPAC Name9-methoxy-2-methyl-5,7-dihydro-[2]benzoxepino[5,4-c]pyridin-3-one
SMILESCOc1ccc2c(c1)COCc1cc(=O)n(C)cc1-2
InChIInChI=1S/C15H15NO3/c1-16-7-14-11(6-15(16)17)9-19-8-10-5-12(18-2)3-4-13(10)14/h3-7H,8-9H2,1-2H3
InChIKeyXLERYPGETMKTJX-UHFFFAOYSA-N
XLogP2.09
TPSA40.46 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 9-methoxy-2-methyl-5,7-dihydro-[2]benzoxepino[5,4-c]pyridin-3-one?
The IUPAC name of 9-methoxy-2-methyl-5,7-dihydro-[2]benzoxepino[5,4-c]pyridin-3-one (CID 140917431) is 9-methoxy-2-methyl-5,7-dihydro-[2]benzoxepino[5,4-c]pyridin-3-one.
What is the SMILES notation for 9-methoxy-2-methyl-5,7-dihydro-[2]benzoxepino[5,4-c]pyridin-3-one?
The canonical SMILES for 9-methoxy-2-methyl-5,7-dihydro-[2]benzoxepino[5,4-c]pyridin-3-one is COc1ccc2c(c1)COCc1cc(=O)n(C)cc1-2.
What is the InChIKey of 9-methoxy-2-methyl-5,7-dihydro-[2]benzoxepino[5,4-c]pyridin-3-one?
The InChIKey is XLERYPGETMKTJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO3/c1-16-7-14-11(6-15(16)17)9-19-8-10-5-12(18-2)3-4-13(10)14/h3-7H,8-9H2,1-2H3.
What are the key properties of 9-methoxy-2-methyl-5,7-dihydro-[2]benzoxepino[5,4-c]pyridin-3-one?
9-methoxy-2-methyl-5,7-dihydro-[2]benzoxepino[5,4-c]pyridin-3-one has a molecular weight of 257.29 g/mol, XLogP of 2.09, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methoxy-2-methyl-5,7-dihydro-[2]benzoxepino[5,4-c]pyridin-3-one is sourced from PubChem (CID 140917431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).