ethene;3-methylfuro[3,4-b]pyrazine-5,7-dione

C9H8N2O3 — CID 143021033

IUPACethene;3-methylfuro[3,4-b]pyrazine-5,7-dione
SMILESC=C.Cc1cnc2c(n1)C(=O)OC2=O
InChIInChI=1S/C7H4N2O3.C2H4/c1-3-2-8-4-5(9-3)7(11)12-6(4)10;1-2/h2H,1H3;1-2H2
InChIKeyKTVMFCOFMXPQGI-UHFFFAOYSA-N
MW192.17 g/mol
LogP0.90
Rot. Bonds

About ethene;3-methylfuro[3,4-b]pyrazine-5,7-dione

ethene;3-methylfuro[3,4-b]pyrazine-5,7-dione (PubChem CID 143021033) has the molecular formula C9H8N2O3 and a molecular weight of 192.17 g/mol. Its IUPAC name is ethene;3-methylfuro[3,4-b]pyrazine-5,7-dione.

Molecular Properties

Compound Nameethene;3-methylfuro[3,4-b]pyrazine-5,7-dione
PubChem CID143021033
Molecular FormulaC9H8N2O3
Molecular Weight192.17 g/mol
Exact Mass192.05
IUPAC Nameethene;3-methylfuro[3,4-b]pyrazine-5,7-dione
SMILESC=C.Cc1cnc2c(n1)C(=O)OC2=O
InChIInChI=1S/C7H4N2O3.C2H4/c1-3-2-8-4-5(9-3)7(11)12-6(4)10;1-2/h2H,1H3;1-2H2
InChIKeyKTVMFCOFMXPQGI-UHFFFAOYSA-N
XLogP0.90
TPSA69.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.17
LogP ≤ 50.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethene;3-methylfuro[3,4-b]pyrazine-5,7-dione?
The IUPAC name of ethene;3-methylfuro[3,4-b]pyrazine-5,7-dione (CID 143021033) is ethene;3-methylfuro[3,4-b]pyrazine-5,7-dione.
What is the SMILES notation for ethene;3-methylfuro[3,4-b]pyrazine-5,7-dione?
The canonical SMILES for ethene;3-methylfuro[3,4-b]pyrazine-5,7-dione is C=C.Cc1cnc2c(n1)C(=O)OC2=O.
What is the InChIKey of ethene;3-methylfuro[3,4-b]pyrazine-5,7-dione?
The InChIKey is KTVMFCOFMXPQGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4N2O3.C2H4/c1-3-2-8-4-5(9-3)7(11)12-6(4)10;1-2/h2H,1H3;1-2H2.
What are the key properties of ethene;3-methylfuro[3,4-b]pyrazine-5,7-dione?
ethene;3-methylfuro[3,4-b]pyrazine-5,7-dione has a molecular weight of 192.17 g/mol, XLogP of 0.90, 0 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethene;3-methylfuro[3,4-b]pyrazine-5,7-dione is sourced from PubChem (CID 143021033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).