1H-pyrano[4,3-b]indol-3-one

C11H7NO2 — CID 23363345

IUPAC1H-pyrano[4,3-b]indol-3-one
SMILESO=C1C=C2N=c3ccccc3=C2CO1
InChIInChI=1S/C11H7NO2/c13-11-5-10-8(6-14-11)7-3-1-2-4-9(7)12-10/h1-5H,6H2
InChIKeyQTDBDEURGDDWSM-UHFFFAOYSA-N
MW185.18 g/mol
LogP-0.09
Rot. Bonds

About 1H-pyrano[4,3-b]indol-3-one

1H-pyrano[4,3-b]indol-3-one (PubChem CID 23363345) has the molecular formula C11H7NO2 and a molecular weight of 185.18 g/mol. Its IUPAC name is 1H-pyrano[4,3-b]indol-3-one.

Molecular Properties

Compound Name1H-pyrano[4,3-b]indol-3-one
PubChem CID23363345
Molecular FormulaC11H7NO2
Molecular Weight185.18 g/mol
Exact Mass185.05
IUPAC Name1H-pyrano[4,3-b]indol-3-one
SMILESO=C1C=C2N=c3ccccc3=C2CO1
InChIInChI=1S/C11H7NO2/c13-11-5-10-8(6-14-11)7-3-1-2-4-9(7)12-10/h1-5H,6H2
InChIKeyQTDBDEURGDDWSM-UHFFFAOYSA-N
XLogP-0.09
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.18
LogP ≤ 5-0.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1H-pyrano[4,3-b]indol-3-one?
The IUPAC name of 1H-pyrano[4,3-b]indol-3-one (CID 23363345) is 1H-pyrano[4,3-b]indol-3-one.
What is the SMILES notation for 1H-pyrano[4,3-b]indol-3-one?
The canonical SMILES for 1H-pyrano[4,3-b]indol-3-one is O=C1C=C2N=c3ccccc3=C2CO1.
What is the InChIKey of 1H-pyrano[4,3-b]indol-3-one?
The InChIKey is QTDBDEURGDDWSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7NO2/c13-11-5-10-8(6-14-11)7-3-1-2-4-9(7)12-10/h1-5H,6H2.
What are the key properties of 1H-pyrano[4,3-b]indol-3-one?
1H-pyrano[4,3-b]indol-3-one has a molecular weight of 185.18 g/mol, XLogP of -0.09, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-pyrano[4,3-b]indol-3-one is sourced from PubChem (CID 23363345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).