pyrano[4,3-b]indole-1,3-dione

C11H5NO3 — CID 19037542

IUPACpyrano[4,3-b]indole-1,3-dione
SMILESO=C1C=C2N=c3ccccc3=C2C(=O)O1
InChIInChI=1S/C11H5NO3/c13-9-5-8-10(11(14)15-9)6-3-1-2-4-7(6)12-8/h1-5H
InChIKeyXESBCHDTCWYWES-UHFFFAOYSA-N
MW199.16 g/mol
LogP-0.56
Rot. Bonds

About pyrano[4,3-b]indole-1,3-dione

pyrano[4,3-b]indole-1,3-dione (PubChem CID 19037542) has the molecular formula C11H5NO3 and a molecular weight of 199.16 g/mol. Its IUPAC name is pyrano[4,3-b]indole-1,3-dione.

Molecular Properties

Compound Namepyrano[4,3-b]indole-1,3-dione
PubChem CID19037542
Molecular FormulaC11H5NO3
Molecular Weight199.16 g/mol
Exact Mass199.03
IUPAC Namepyrano[4,3-b]indole-1,3-dione
SMILESO=C1C=C2N=c3ccccc3=C2C(=O)O1
InChIInChI=1S/C11H5NO3/c13-9-5-8-10(11(14)15-9)6-3-1-2-4-7(6)12-8/h1-5H
InChIKeyXESBCHDTCWYWES-UHFFFAOYSA-N
XLogP-0.56
TPSA55.73 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.16
LogP ≤ 5-0.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of pyrano[4,3-b]indole-1,3-dione?
The IUPAC name of pyrano[4,3-b]indole-1,3-dione (CID 19037542) is pyrano[4,3-b]indole-1,3-dione.
What is the SMILES notation for pyrano[4,3-b]indole-1,3-dione?
The canonical SMILES for pyrano[4,3-b]indole-1,3-dione is O=C1C=C2N=c3ccccc3=C2C(=O)O1.
What is the InChIKey of pyrano[4,3-b]indole-1,3-dione?
The InChIKey is XESBCHDTCWYWES-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H5NO3/c13-9-5-8-10(11(14)15-9)6-3-1-2-4-7(6)12-8/h1-5H.
What are the key properties of pyrano[4,3-b]indole-1,3-dione?
pyrano[4,3-b]indole-1,3-dione has a molecular weight of 199.16 g/mol, XLogP of -0.56, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for pyrano[4,3-b]indole-1,3-dione is sourced from PubChem (CID 19037542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).