2,4-dihydro-1H-chromeno[3,4-b]pyrazine-3,5-dione

C11H8N2O3 — CID 4183428

IUPAC2,4-dihydro-1H-chromeno[3,4-b]pyrazine-3,5-dione
SMILESO=C1CNc2c(c(=O)oc3ccccc23)N1
InChIInChI=1S/C11H8N2O3/c14-8-5-12-9-6-3-1-2-4-7(6)16-11(15)10(9)13-8/h1-4,12H,5H2,(H,13,14)
InChIKeyYAZFXSBHBYEQGE-UHFFFAOYSA-N
MW216.20 g/mol
LogP1.16
Rot. Bonds

About 2,4-dihydro-1H-chromeno[3,4-b]pyrazine-3,5-dione

2,4-dihydro-1H-chromeno[3,4-b]pyrazine-3,5-dione (PubChem CID 4183428) has the molecular formula C11H8N2O3 and a molecular weight of 216.20 g/mol. Its IUPAC name is 2,4-dihydro-1H-chromeno[3,4-b]pyrazine-3,5-dione.

Molecular Properties

Compound Name2,4-dihydro-1H-chromeno[3,4-b]pyrazine-3,5-dione
PubChem CID4183428
Molecular FormulaC11H8N2O3
Molecular Weight216.20 g/mol
Exact Mass216.05
IUPAC Name2,4-dihydro-1H-chromeno[3,4-b]pyrazine-3,5-dione
SMILESO=C1CNc2c(c(=O)oc3ccccc23)N1
InChIInChI=1S/C11H8N2O3/c14-8-5-12-9-6-3-1-2-4-7(6)16-11(15)10(9)13-8/h1-4,12H,5H2,(H,13,14)
InChIKeyYAZFXSBHBYEQGE-UHFFFAOYSA-N
XLogP1.16
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.20
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,4-dihydro-1H-chromeno[3,4-b]pyrazine-3,5-dione?
The IUPAC name of 2,4-dihydro-1H-chromeno[3,4-b]pyrazine-3,5-dione (CID 4183428) is 2,4-dihydro-1H-chromeno[3,4-b]pyrazine-3,5-dione.
What is the SMILES notation for 2,4-dihydro-1H-chromeno[3,4-b]pyrazine-3,5-dione?
The canonical SMILES for 2,4-dihydro-1H-chromeno[3,4-b]pyrazine-3,5-dione is O=C1CNc2c(c(=O)oc3ccccc23)N1.
What is the InChIKey of 2,4-dihydro-1H-chromeno[3,4-b]pyrazine-3,5-dione?
The InChIKey is YAZFXSBHBYEQGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8N2O3/c14-8-5-12-9-6-3-1-2-4-7(6)16-11(15)10(9)13-8/h1-4,12H,5H2,(H,13,14).
What are the key properties of 2,4-dihydro-1H-chromeno[3,4-b]pyrazine-3,5-dione?
2,4-dihydro-1H-chromeno[3,4-b]pyrazine-3,5-dione has a molecular weight of 216.20 g/mol, XLogP of 1.16, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dihydro-1H-chromeno[3,4-b]pyrazine-3,5-dione is sourced from PubChem (CID 4183428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).