furan-2,5-dione;2-methyloxirane;oxirane

C9H12O5 — CID 170852253

IUPACfuran-2,5-dione;2-methyloxirane;oxirane
SMILESC1CO1.CC1CO1.O=C1C=CC(=O)O1
InChIInChI=1S/C4H2O3.C3H6O.C2H4O/c5-3-1-2-4(6)7-3;1-3-2-4-3;1-2-3-1/h1-2H;3H,2H2,1H3;1-2H2
InChIKeyCMFNHXOUYSVQTB-UHFFFAOYSA-N
MW200.19 g/mol
LogP0.05
Rot. Bonds

About furan-2,5-dione;2-methyloxirane;oxirane

furan-2,5-dione;2-methyloxirane;oxirane (PubChem CID 170852253) has the molecular formula C9H12O5 and a molecular weight of 200.19 g/mol. Its IUPAC name is furan-2,5-dione;2-methyloxirane;oxirane.

Molecular Properties

Compound Namefuran-2,5-dione;2-methyloxirane;oxirane
PubChem CID170852253
Molecular FormulaC9H12O5
Molecular Weight200.19 g/mol
Exact Mass200.07
IUPAC Namefuran-2,5-dione;2-methyloxirane;oxirane
SMILESC1CO1.CC1CO1.O=C1C=CC(=O)O1
InChIInChI=1S/C4H2O3.C3H6O.C2H4O/c5-3-1-2-4(6)7-3;1-3-2-4-3;1-2-3-1/h1-2H;3H,2H2,1H3;1-2H2
InChIKeyCMFNHXOUYSVQTB-UHFFFAOYSA-N
XLogP0.05
TPSA68.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.19
LogP ≤ 50.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of furan-2,5-dione;2-methyloxirane;oxirane?
The IUPAC name of furan-2,5-dione;2-methyloxirane;oxirane (CID 170852253) is furan-2,5-dione;2-methyloxirane;oxirane.
What is the SMILES notation for furan-2,5-dione;2-methyloxirane;oxirane?
The canonical SMILES for furan-2,5-dione;2-methyloxirane;oxirane is C1CO1.CC1CO1.O=C1C=CC(=O)O1.
What is the InChIKey of furan-2,5-dione;2-methyloxirane;oxirane?
The InChIKey is CMFNHXOUYSVQTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H2O3.C3H6O.C2H4O/c5-3-1-2-4(6)7-3;1-3-2-4-3;1-2-3-1/h1-2H;3H,2H2,1H3;1-2H2.
What are the key properties of furan-2,5-dione;2-methyloxirane;oxirane?
furan-2,5-dione;2-methyloxirane;oxirane has a molecular weight of 200.19 g/mol, XLogP of 0.05, 0 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for furan-2,5-dione;2-methyloxirane;oxirane is sourced from PubChem (CID 170852253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).