9-methoxy-11-methylidene-5H-[1]benzoxepino[3,4-b]pyridine

C15H13NO2 — CID 22998966

IUPAC9-methoxy-11-methylidene-5H-[1]benzoxepino[3,4-b]pyridine
SMILESC=C1c2cc(OC)ccc2OCc2ncccc21
InChIInChI=1S/C15H13NO2/c1-10-12-4-3-7-16-14(12)9-18-15-6-5-11(17-2)8-13(10)15/h3-8H,1,9H2,2H3
InChIKeyKPUOBVGSQUURIN-UHFFFAOYSA-N
MW239.27 g/mol
LogP3.04
Rot. Bonds1

About 9-methoxy-11-methylidene-5H-[1]benzoxepino[3,4-b]pyridine

9-methoxy-11-methylidene-5H-[1]benzoxepino[3,4-b]pyridine (PubChem CID 22998966) has the molecular formula C15H13NO2 and a molecular weight of 239.27 g/mol. Its IUPAC name is 9-methoxy-11-methylidene-5H-[1]benzoxepino[3,4-b]pyridine.

Molecular Properties

Compound Name9-methoxy-11-methylidene-5H-[1]benzoxepino[3,4-b]pyridine
PubChem CID22998966
Molecular FormulaC15H13NO2
Molecular Weight239.27 g/mol
Exact Mass239.09
IUPAC Name9-methoxy-11-methylidene-5H-[1]benzoxepino[3,4-b]pyridine
SMILESC=C1c2cc(OC)ccc2OCc2ncccc21
InChIInChI=1S/C15H13NO2/c1-10-12-4-3-7-16-14(12)9-18-15-6-5-11(17-2)8-13(10)15/h3-8H,1,9H2,2H3
InChIKeyKPUOBVGSQUURIN-UHFFFAOYSA-N
XLogP3.04
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.27
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 9-methoxy-11-methylidene-5H-[1]benzoxepino[3,4-b]pyridine?
The IUPAC name of 9-methoxy-11-methylidene-5H-[1]benzoxepino[3,4-b]pyridine (CID 22998966) is 9-methoxy-11-methylidene-5H-[1]benzoxepino[3,4-b]pyridine.
What is the SMILES notation for 9-methoxy-11-methylidene-5H-[1]benzoxepino[3,4-b]pyridine?
The canonical SMILES for 9-methoxy-11-methylidene-5H-[1]benzoxepino[3,4-b]pyridine is C=C1c2cc(OC)ccc2OCc2ncccc21.
What is the InChIKey of 9-methoxy-11-methylidene-5H-[1]benzoxepino[3,4-b]pyridine?
The InChIKey is KPUOBVGSQUURIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13NO2/c1-10-12-4-3-7-16-14(12)9-18-15-6-5-11(17-2)8-13(10)15/h3-8H,1,9H2,2H3.
What are the key properties of 9-methoxy-11-methylidene-5H-[1]benzoxepino[3,4-b]pyridine?
9-methoxy-11-methylidene-5H-[1]benzoxepino[3,4-b]pyridine has a molecular weight of 239.27 g/mol, XLogP of 3.04, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methoxy-11-methylidene-5H-[1]benzoxepino[3,4-b]pyridine is sourced from PubChem (CID 22998966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).