1-ethenylnaphthalene;furan-2,5-dione

C16H12O3 — CID 174917000

IUPAC1-ethenylnaphthalene;furan-2,5-dione
SMILESC=Cc1cccc2ccccc12.O=C1C=CC(=O)O1
InChIInChI=1S/C12H10.C4H2O3/c1-2-10-7-5-8-11-6-3-4-9-12(10)11;5-3-1-2-4(6)7-3/h2-9H,1H2;1-2H
InChIKeyIJTWTPQRRQVJCI-UHFFFAOYSA-N
MW252.27 g/mol
LogP3.11
Rot. Bonds1

About 1-ethenylnaphthalene;furan-2,5-dione

1-ethenylnaphthalene;furan-2,5-dione (PubChem CID 174917000) has the molecular formula C16H12O3 and a molecular weight of 252.27 g/mol. Its IUPAC name is 1-ethenylnaphthalene;furan-2,5-dione.

Molecular Properties

Compound Name1-ethenylnaphthalene;furan-2,5-dione
PubChem CID174917000
Molecular FormulaC16H12O3
Molecular Weight252.27 g/mol
Exact Mass252.08
IUPAC Name1-ethenylnaphthalene;furan-2,5-dione
SMILESC=Cc1cccc2ccccc12.O=C1C=CC(=O)O1
InChIInChI=1S/C12H10.C4H2O3/c1-2-10-7-5-8-11-6-3-4-9-12(10)11;5-3-1-2-4(6)7-3/h2-9H,1H2;1-2H
InChIKeyIJTWTPQRRQVJCI-UHFFFAOYSA-N
XLogP3.11
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 1-ethenylnaphthalene;furan-2,5-dione?
The IUPAC name of 1-ethenylnaphthalene;furan-2,5-dione (CID 174917000) is 1-ethenylnaphthalene;furan-2,5-dione.
What is the SMILES notation for 1-ethenylnaphthalene;furan-2,5-dione?
The canonical SMILES for 1-ethenylnaphthalene;furan-2,5-dione is C=Cc1cccc2ccccc12.O=C1C=CC(=O)O1.
What is the InChIKey of 1-ethenylnaphthalene;furan-2,5-dione?
The InChIKey is IJTWTPQRRQVJCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10.C4H2O3/c1-2-10-7-5-8-11-6-3-4-9-12(10)11;5-3-1-2-4(6)7-3/h2-9H,1H2;1-2H.
What are the key properties of 1-ethenylnaphthalene;furan-2,5-dione?
1-ethenylnaphthalene;furan-2,5-dione has a molecular weight of 252.27 g/mol, XLogP of 3.11, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenylnaphthalene;furan-2,5-dione is sourced from PubChem (CID 174917000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).