7-methoxy-5-methylpyrano[3,2-b]indol-4-one

C13H11NO3 — CID 11345225

IUPAC7-methoxy-5-methylpyrano[3,2-b]indol-4-one
SMILESCOc1ccc2c3occc(=O)c3n(C)c2c1
InChIInChI=1S/C13H11NO3/c1-14-10-7-8(16-2)3-4-9(10)13-12(14)11(15)5-6-17-13/h3-7H,1-2H3
InChIKeyMHWZBYSZMPRYHU-UHFFFAOYSA-N
MW229.23 g/mol
LogP2.29
Rot. Bonds1

About 7-methoxy-5-methylpyrano[3,2-b]indol-4-one

7-methoxy-5-methylpyrano[3,2-b]indol-4-one (PubChem CID 11345225) has the molecular formula C13H11NO3 and a molecular weight of 229.23 g/mol. Its IUPAC name is 7-methoxy-5-methylpyrano[3,2-b]indol-4-one.

Molecular Properties

Compound Name7-methoxy-5-methylpyrano[3,2-b]indol-4-one
PubChem CID11345225
Molecular FormulaC13H11NO3
Molecular Weight229.23 g/mol
Exact Mass229.07
IUPAC Name7-methoxy-5-methylpyrano[3,2-b]indol-4-one
SMILESCOc1ccc2c3occc(=O)c3n(C)c2c1
InChIInChI=1S/C13H11NO3/c1-14-10-7-8(16-2)3-4-9(10)13-12(14)11(15)5-6-17-13/h3-7H,1-2H3
InChIKeyMHWZBYSZMPRYHU-UHFFFAOYSA-N
XLogP2.29
TPSA44.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.23
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-methoxy-5-methylpyrano[3,2-b]indol-4-one?
The IUPAC name of 7-methoxy-5-methylpyrano[3,2-b]indol-4-one (CID 11345225) is 7-methoxy-5-methylpyrano[3,2-b]indol-4-one.
What is the SMILES notation for 7-methoxy-5-methylpyrano[3,2-b]indol-4-one?
The canonical SMILES for 7-methoxy-5-methylpyrano[3,2-b]indol-4-one is COc1ccc2c3occc(=O)c3n(C)c2c1.
What is the InChIKey of 7-methoxy-5-methylpyrano[3,2-b]indol-4-one?
The InChIKey is MHWZBYSZMPRYHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11NO3/c1-14-10-7-8(16-2)3-4-9(10)13-12(14)11(15)5-6-17-13/h3-7H,1-2H3.
What are the key properties of 7-methoxy-5-methylpyrano[3,2-b]indol-4-one?
7-methoxy-5-methylpyrano[3,2-b]indol-4-one has a molecular weight of 229.23 g/mol, XLogP of 2.29, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-5-methylpyrano[3,2-b]indol-4-one is sourced from PubChem (CID 11345225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).