7-ethenyl-1H-benzo[g]pteridine-2,4-dione

C12H8N4O2 — CID 102248001

IUPAC7-ethenyl-1H-benzo[g]pteridine-2,4-dione
SMILESC=Cc1ccc2nc3[nH]c(=O)[nH]c(=O)c3nc2c1
InChIInChI=1S/C12H8N4O2/c1-2-6-3-4-7-8(5-6)13-9-10(14-7)15-12(18)16-11(9)17/h2-5H,1H2,(H2,14,15,16,17,18)
InChIKeyBZNOZKULCDZXKM-UHFFFAOYSA-N
MW240.22 g/mol
LogP0.80
Rot. Bonds1

About 7-ethenyl-1H-benzo[g]pteridine-2,4-dione

7-ethenyl-1H-benzo[g]pteridine-2,4-dione (PubChem CID 102248001) has the molecular formula C12H8N4O2 and a molecular weight of 240.22 g/mol. Its IUPAC name is 7-ethenyl-1H-benzo[g]pteridine-2,4-dione.

Molecular Properties

Compound Name7-ethenyl-1H-benzo[g]pteridine-2,4-dione
PubChem CID102248001
Molecular FormulaC12H8N4O2
Molecular Weight240.22 g/mol
Exact Mass240.06
IUPAC Name7-ethenyl-1H-benzo[g]pteridine-2,4-dione
SMILESC=Cc1ccc2nc3[nH]c(=O)[nH]c(=O)c3nc2c1
InChIInChI=1S/C12H8N4O2/c1-2-6-3-4-7-8(5-6)13-9-10(14-7)15-12(18)16-11(9)17/h2-5H,1H2,(H2,14,15,16,17,18)
InChIKeyBZNOZKULCDZXKM-UHFFFAOYSA-N
XLogP0.80
TPSA91.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.22
LogP ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-ethenyl-1H-benzo[g]pteridine-2,4-dione?
The IUPAC name of 7-ethenyl-1H-benzo[g]pteridine-2,4-dione (CID 102248001) is 7-ethenyl-1H-benzo[g]pteridine-2,4-dione.
What is the SMILES notation for 7-ethenyl-1H-benzo[g]pteridine-2,4-dione?
The canonical SMILES for 7-ethenyl-1H-benzo[g]pteridine-2,4-dione is C=Cc1ccc2nc3[nH]c(=O)[nH]c(=O)c3nc2c1.
What is the InChIKey of 7-ethenyl-1H-benzo[g]pteridine-2,4-dione?
The InChIKey is BZNOZKULCDZXKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8N4O2/c1-2-6-3-4-7-8(5-6)13-9-10(14-7)15-12(18)16-11(9)17/h2-5H,1H2,(H2,14,15,16,17,18).
What are the key properties of 7-ethenyl-1H-benzo[g]pteridine-2,4-dione?
7-ethenyl-1H-benzo[g]pteridine-2,4-dione has a molecular weight of 240.22 g/mol, XLogP of 0.80, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethenyl-1H-benzo[g]pteridine-2,4-dione is sourced from PubChem (CID 102248001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).